SCHEMBL5779811

SCHEMBL5779811

Cc1noc(C)c1S(=O)(=O)NC(CNC(=O)c1cn(C)c2cc(CNc3ncc[nH]3)ccc2c1=O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGAV P06756 19/20 0.61
ITGA2B P08514 17/20 0.54
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41

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
SCHEMBL5777935 0.89 ITGAV (0.75) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL5780038 0.89 ITGAV (0.75) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL5778440 0.87 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL5780305 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL5778436 0.85 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL1070628 0.84 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL13765394 0.83 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL14440961 0.82 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL13759560 0.82 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL8600097 0.81 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGA5

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
EP-0944619-B1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-10-11 EP claimed
EP-0944619-B1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-10-11 EP disclosed
US-6358976-B1 FOR THERAPY AND PROPHYLAXIS OF CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, OR MACULAR DEGENERATION LANTHEUS MI REAL ESTATE, LLC 2002-03-19 US disclosed
US-6130231-A SUBSTITUTED 2,3-DIHYDROQUINOLIN-4-ONES DUPONT PHARMACEUTICALS (US) 2000-10-10 US disclosed