SCHEMBL382291

SCHEMBL382291

O=C(O)CC(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)NS(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.43
ITGAV P06756 9/20 0.43
ITGA2B P08514 9/20 0.43
SYK P43405 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CASP3 P42574 1/20 0.31
GPR6 P46095 1/20 0.31
EPHX2 P34913 1/20 0.31
ENPP1 P22413 1/20 0.30

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
SCHEMBL382205 0.94 ITGB3 (0.42) ITGB3ITGAVITGA2BSMN1; SMN2CASP3
SCHEMBL382429 0.93 ITGB3 (0.45) ITGB3ITGAVITGA2BSYKSMN1; SMN2
SCHEMBL382874 0.91 ITGB3 (0.38) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL6499638 0.88 ITGB3 (0.41) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL382777 0.88 ITGB3 (0.55) ITGB3ITGAVITGA2BSMN1; SMN2CASP3
SCHEMBL382791 0.86 ITGB3 (0.54) ITGB3ITGAVITGA2BCASP3EPHX2
SCHEMBL382290 0.85 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL383817 0.85 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL383196 0.82 MMP13 (0.38) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL382037 0.82 ITGB3 (0.55) ITGB3ITGAVITGA2BSMN1; SMN2

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