SCHEMBL382567

SCHEMBL382567

COc1cc(C(=O)NC[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.55
ITGAV P06756 18/20 0.55
ITGA2B P08514 8/20 0.55
ITGB1 P05556 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGB5 P18084 1/20 0.43

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
SCHEMBL384051 0.90 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL382408 0.86 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL382569 0.86 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL7467070 0.86 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL381829 0.85 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL383137 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2B
SCHEMBL382927 0.84 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL383138 0.83 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL382568 0.83 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL382099 0.83 ITGB3 (0.54) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US claimed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed