SCHEMBL382282

SCHEMBL382282

O=C(O)CC(NC(=O)OCc1ccccc1)NC(=O)c1ccc(N2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.60
ITGAV P06756 20/20 0.60
ITGB5 P18084 3/20 0.45
ITGA2B P08514 2/20 0.45
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42

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
SCHEMBL380853 0.91 ITGB3 (0.54) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL7656748 0.86 TP53 (0.45) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL382281 0.86 ITGB3 (0.62) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL382410 0.83 ITGB3 (0.44) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL381930 0.83 ITGB3 (0.48) ITGB3ITGAV
SCHEMBL382991 0.83 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL380852 0.82 ITGB3 (0.56) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL383120 0.81 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL382506 0.80 ITGB3 (0.55) ITGB3ITGAVITGB5ITGA2B
SCHEMBL382427 0.80 ITGB3 (0.43) 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