SCHEMBL5222258

SCHEMBL5222258

N#C[C@@H]1C[C@H](F)CN1C(=O)CNC1CC2CCC(C1)N2C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.73
PREP P48147 2/20 0.49
DPP8 Q6V1X1 2/20 0.49
DPP7 Q9UHL4 2/20 0.49
DPP9 Q86TI2 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14587268 0.86 DPP4 (0.66) DPP4PREPDPP8DPP7DPP9
Hydrochloric Acid SCHEMBL5219259 0.85 DPP4 (0.65) DPP4PREPDPP8DPP7DPP9
Hydrochloric Acid SCHEMBL5205598 0.84 DPP4 (0.97) DPP4
SCHEMBL8267018 0.83 DPP4 (1.00) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5204236 0.82 DPP4 (0.97) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5206737 0.82 DPP4 (0.97) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5206597 0.81 DPP4 (0.97) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6172699 0.80 DPP4 (0.95) DPP4DPP8DPP9
SCHEMBL15238166 0.79 DPP4 (0.81) DPP4
SCHEMBL1346883 0.77 DPP4 (0.59) DPP4PREPDPP8DPP7DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP claimed