Table 5.
Summary of the top ten fragments in the inactive set of DPP4 inhibitors
| Rank | IUPAC name | Structure | Fragment count |
|---|---|---|---|
| 1 | Benzyl(ethyl)amine |
|
102 |
| 2 | 2-methyl-2,3-dihydro-1H-isoindole |
|
77 |
| 3 | 1-(pyrrolidin-1-yl)propan-1-one |
|
64 |
| 4 | 1-(piperidin-1-yl)ethan-1-one |
|
45 |
| 5 | Propylbenzene |
|
35 |
| 6 | 3-ethyl-4-methylpyrrolidin-2-one |
|
19 |
| 7 | 2-amino-1-(pyrrolidin-1-yl)ethan-1-one |
|
17 |
| 8 | 3-ethyl-2,4-dimethylpyridine |
|
14 |
| 9 | N-ethylcyclohexanamine |
|
14 |
| 10 | (Pyrrolidin-2-yl)phosphonic acid |
|
13 |