SCHEMBL383058

SCHEMBL383058

CC(C)(C)OC(=O)[C@H](CNC(=O)c1ccc(N2CCC(N)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.58
ITGA2B P08514 18/20 0.58
ITGAV P06756 9/20 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
SCHEMBL7463256 0.90 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7463260 0.86 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL8459092 0.83 ITGAV (0.56) ITGB3ITGA2BITGAV
SCHEMBL7664581 0.83 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL8903718 0.81 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7490103 0.81 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL383059 0.81 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL8348648 0.81 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7658148 0.81 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL28744974 0.79 ITGB3 (0.48) ITGB3ITGA2BITGAV

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 3 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 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