Table 2.
ChemMine similarity scores for the scaffold (general structure) of ACE2 inhibitors, ACEI, carnosine, and salicyl-carnosine.
| Drug | AP Tanimoto | MCS Tanimoto | MCS Size | MCS Min | MCS Max |
|---|---|---|---|---|---|
| Scaffold | - | - | - | - | - |
| Captopril | 0.128 | 0.429 | 9 | 0.643 | 0.563 |
| Enalapril | 0.169 | 0.344 | 11 | 0.688 | 0.407 |
| Ramipril | 0.147 | 0.314 | 11 | 0.688 | 0.367 |
| Trandolapril | 0.138 | 0.306 | 11 | 0.688 | 0.355 |
| Perindopril | 0.138 | 0.355 | 11 | 0.688 | 0.423 |
| Benzapril | 0.114 | 0.306 | 11 | 0.688 | 0.355 |
| Fosinopril | 0.051 | 0.196 | 9 | 0,.563 | 0.231 |
| Temocapril | 0.110 | 0.297 | 11 | 0.688 | 0.344 |
| Carnosine | 0.364 | 0.684 | 13 | 0.813 | 0.813 |
| Salicyl-carnosine | 0.214 | 0.464 | 13 | 0.813 | 0.520 |