SCHEMBL383380

SCHEMBL383380

CCCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc(N2CCC(Nc3nc4ccccc4n3C(=O)OC(C)(C)C)CC2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.45
ITGA2B P08514 17/20 0.45
ITGAV P06756 8/20 0.45
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CASR P41180 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL382553 0.86 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL382574 0.86 ITGAV (0.47) ITGB3ITGA2BITGAVSMN1; SMN2MEN1
SCHEMBL7860282 0.85 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7860298 0.85 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL383381 0.84 CASR (0.38) SMN1; SMN2MEN1CYP2C19KMT2ACASR
SCHEMBL382606 0.84 SMN1; SMN2 (0.42) ITGB3ITGA2BITGAVSMN1; SMN2MEN1
SCHEMBL381926 0.83 ITGB3 (0.46) ITGB3ITGA2BITGAVSMN1; SMN2MEN1
SCHEMBL382797 0.81 ITGB3 (0.46) ITGB3ITGA2BITGAVSMN1; SMN2MEN1
SCHEMBL383504 0.81 ITGAV (0.42) ITGB3ITGA2BITGAVSMN1; SMN2MEN1
SCHEMBL383113 0.80 ITGB3 (0.45) ITGB3ITGA2BITGAVSMN1; SMN2MEN1

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