SCHEMBL8072499

SCHEMBL8072499

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.60
DPP8 Q6V1X1 2/20 0.60
DPP9 Q86TI2 2/20 0.60
DPP7 Q9UHL4 2/20 0.60
FAP Q12884 1/20 0.60
F2 P00734 1/20 0.56
OPRM1 P35372 3/20 0.55
OPRD1 P41143 2/20 0.55
OPRK1 P41145 1/20 0.55

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
SCHEMBL21067758 0.90 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL21067756 0.90 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL30051426 0.89 DPP4 (0.60) DPP4DPP8DPP9DPP7FAP
SCHEMBL14020742 0.87 F2 (0.66) DPP4DPP8DPP9DPP7FAP
SCHEMBL8862702 0.86 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL29541867 0.86 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL6092096 0.86 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL6933624 0.86 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL14985801 0.86 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL30833622 0.85 OPRM1 (0.66) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012165-A1 PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N- 1- 3- (AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE Aventis Pharmaceuticals Inc. (US) 2000-06-28 EP claimed
WO-1997035874-A1 PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N-[1-[3-[(AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE HOECHST MARION ROUSSEL, INC. (US) 1997-10-02 WO claimed