SCHEMBL382345

SCHEMBL382345

COc1ccc(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(N3CCC(Nc4ncccn4)CC3)c(F)c2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.55
ITGA2B P08514 11/20 0.55
ITGAV P06756 9/20 0.55
ALDH1A1 P00352 7/20 0.39
USP2 O75604 2/20 0.39
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7473366 0.93 ITGB3 (0.49) ITGB3ITGA2BITGAVALDH1A1USP2
SCHEMBL382306 0.92 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7473372 0.89 ITGB3 (0.46) ITGB3ITGA2BITGAVALDH1A1USP2
SCHEMBL382475 0.88 ITGB3 (0.43) ITGB3ITGA2BITGAVALDH1A1KMT2A
SCHEMBL382346 0.85 ITGB3 (0.46) ITGB3ITGA2BITGAVALDH1A1USP2
SCHEMBL383234 0.84 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7461788 0.84 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL382036 0.84 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL383013 0.83 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL382776 0.83 ITGB3 (0.75) ITGB3ITGA2BITGAV

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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