SCHEMBL382791

SCHEMBL382791

O=C(O)CC(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(O)c1)NS(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.54
ITGAV P06756 8/20 0.54
ITGA2B P08514 8/20 0.54
CASP3 P42574 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
USP2 O75604 1/20 0.33
EPHX2 P34913 1/20 0.32
ATM Q13315 1/20 0.32
CASR P41180 2/20 0.32

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
SCHEMBL382782 0.95 ITGB3 (0.54) ITGB3ITGAVITGA2BCASP3HDAC8
SCHEMBL382777 0.92 ITGB3 (0.55) ITGB3ITGAVITGA2BCASP3MEN1
SCHEMBL6507021 0.88 ITGB3 (0.41) ITGB3ITGAVITGA2BCASP3
SCHEMBL381839 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL382037 0.87 ITGB3 (0.55) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL383239 0.87 ITGB3 (0.55) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL382291 0.86 ITGB3 (0.43) ITGB3ITGAVITGA2BCASP3EPHX2
SCHEMBL382444 0.85 ITGB3 (0.75) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL6505536 0.85 ITGB3 (0.48) ITGB3ITGAVITGA2BHDAC8HDAC6
SCHEMBL382514 0.85 ITGB3 (0.52) ITGB3ITGAVITGA2BALDH1A1LMNA

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 5 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-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