SCHEMBL382529

SCHEMBL382529

COc1cc(C(=O)NC(CC(=O)O)NS(=O)(=O)c2ccc(C(=O)O)cc2)ccc1N1CCC(NC2=NCCCN2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.69
ITGAV P06756 16/20 0.69
ITGA2B P08514 15/20 0.69
ITGB1 P05556 3/20 0.36
ITGB5 P18084 3/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL382432 0.95 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382269 0.90 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL381993 0.88 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382528 0.86 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL382633 0.86 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382444 0.86 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382514 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383431 0.85 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL381996 0.85 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382329 0.85 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB1ITGB5

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