SCHEMBL382991

SCHEMBL382991

O=C(O)CC(NC(=O)c1ccc(N2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.47
ITGAV P06756 7/20 0.47
ITGA2B P08514 3/20 0.47
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2B P41595 1/20 0.39
GAA P10253 2/20 0.39
CASR P41180 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MMP3 P08254 1/20 0.38
PTGDR Q13258 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL383120 0.95 ITGB3 (0.43) ITGB3ITGAVITGA2BMAPK1MEN1
SCHEMBL382427 0.95 ITGB3 (0.43) ITGB3ITGAVITGA2BMAPK1MEN1
SCHEMBL382319 0.94 MAPT (0.47) ITGB3ITGAVITGA2BMAPK1MEN1
SCHEMBL382383 0.90 ITGB3 (0.47) ITGB3ITGAVITGA2BKCNH2CASR
SCHEMBL382114 0.89 ITGAV (0.46) ITGB3ITGAVITGA2BMAPK1MEN1
SCHEMBL7651229 0.86 TP53 (0.46) ITGB3ITGAVITGA2BMAPK1MEN1
SCHEMBL381930 0.84 ITGB3 (0.48) ITGB3ITGAVMAPK1MEN1KMT2A
SCHEMBL382483 0.84 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL382282 0.83 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL27551456 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BMEN1KMT2A

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