SCHEMBL382383

SCHEMBL382383

O=C(O)CC(NC(=O)c1ccc(N2CCC(Nc3nc4ncccc4[nH]3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.47
ITGA2B P08514 8/20 0.47
ITGAV P06756 8/20 0.47
CASR P41180 6/20 0.39
KCNH2 Q12809 1/20 0.37
MMP3 P08254 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGB5 P18084 1/20 0.36
AURKA O14965 1/20 0.35
SFRP1 Q8N474 1/20 0.34

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
SCHEMBL382991 0.90 ITGB3 (0.47) ITGB3ITGA2BITGAVCASRKCNH2
SCHEMBL382384 0.86 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL383120 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAVCASRKCNH2
SCHEMBL27551456 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRITGB1
SCHEMBL382764 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRITGB1
SCHEMBL382427 0.85 ITGB3 (0.43) ITGB3ITGA2BITGAVKCNH2MMP3
SCHEMBL382319 0.84 MAPT (0.47) ITGB3ITGA2BITGAV
SCHEMBL460323 0.83 ITGB3 (0.41) ITGB3ITGA2BITGAVCASRKCNH2
SCHEMBL382937 0.81 ITGB3 (0.66) ITGB3ITGA2BITGAVCASRMMP3
SCHEMBL7655429 0.80 ITGB3 (0.44) ITGB3ITGA2BITGAVCASRKCNH2

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 7 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
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN 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