SCHEMBL382882

SCHEMBL382882

COc1ccc(CN(C2=NCCCN2)C2CCN(c3ccc(C(=O)NC[C@H](NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)C(=O)OC(C)(C)C)cc3F)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.52
ITGAV P06756 12/20 0.52
ITGA2B P08514 12/20 0.52
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7656305 0.80 ITGB3 (0.51) ITGB3ITGAVITGA2BMAPTLMNA
SCHEMBL7659630 0.80 ITGB3 (0.48) ITGB3ITGAVITGA2BMAPTKMT2A
SCHEMBL382789 0.78 ITGB3 (0.45) ITGB3ITGAVITGA2BMAPTKMT2A
SCHEMBL7660996 0.78 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL382345 0.77 ITGB3 (0.55) ITGB3ITGAVITGA2BKMT2AALDH1A1
SCHEMBL383255 0.77 MAPT (0.40) ITGB3ITGAVITGA2BMAPTGAA
SCHEMBL382270 0.76 ITGB3 (0.86) ITGB3ITGAVITGA2B
SCHEMBL381992 0.76 ITGB3 (0.86) ITGB3ITGAVITGA2B
SCHEMBL382971 0.76 ITGB3 (0.44) ITGB3ITGAVITGA2BMAPTTP53
SCHEMBL7659624 0.76 ITGB3 (0.41) ITGB3ITGAVITGA2BMAPTTP53

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