SCHEMBL3165488

SCHEMBL3165488

N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.56
DPP8 Q6V1X1 11/20 0.56
DPP9 Q86TI2 11/20 0.56
FAP Q12884 10/20 0.56
DPP7 Q9UHL4 9/20 0.56
KCNH2 Q12809 1/20 0.53

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
Hydrochloric Acid SCHEMBL3160641 0.99 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL3156290 0.99 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL3158711 0.86 DPP4 (0.53) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL5544615 0.85 DPP4 (0.52) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL3160266 0.85 DPP4 (0.52) DPP4DPP8DPP9FAPDPP7
SCHEMBL8352775 0.83 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL3164971 0.82 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
SCHEMBL6751803 0.82 DPP4 (0.55) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL3151749 0.81 DPP4 (0.54) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL6069839 0.81 DPP4 (0.54) DPP4DPP8DPP9FAPDPP7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862457-B1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORP (US) 2010-01-20 EP claimed
EP-1406873-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-14 EP claimed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO claimed
EP-1406873-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-14 EP disclosed
WO-2003002531-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed