SCHEMBL382113

SCHEMBL382113

Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(N3CCC(Nc4nc5ccccc5[nH]4)CC3)cc2)C(=O)O)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.53
ITGB3 P05106 15/20 0.53
ITGA2B P08514 12/20 0.53
ITGB1 P05556 4/20 0.53
ITGA5 P08648 3/20 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
SCHEMBL382483 0.89 ITGB3 (0.66) ITGAVITGB3ITGA2B
SCHEMBL382572 0.87 ITGAV (0.53) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL383121 0.86 ITGB3 (0.61) ITGAVITGB3ITGA2B
SCHEMBL382114 0.86 ITGAV (0.46) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL382426 0.86 ITGB3 (0.60) ITGAVITGB3ITGA2B
SCHEMBL382318 0.84 ITGB3 (0.59) ITGAVITGB3ITGA2B
SCHEMBL383206 0.84 ITGB3 (0.51) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL381931 0.80 ITGB3 (0.46) ITGAVITGB3ITGA2B
SCHEMBL382574 0.80 ITGAV (0.47) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL382384 0.79 ITGB3 (0.65) ITGAVITGB3ITGA2B

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
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