SCHEMBL5779563

SCHEMBL5779563

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2cn(CCc3ccccc3)c3cc(CNc4nc5c([nH]4)CCCC5)ccc3c2=O)C(=O)O)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 18/20 0.58
ITGB3 P05106 15/20 0.58
ITGA2B P08514 10/20 0.39
ITGB1 P05556 5/20 0.39
ITGA5 P08648 4/20 0.39

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
SCHEMBL5779549 0.91 ITGAV (0.57) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5780960 0.89 ITGAV (0.61) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL1069186 0.87 ITGAV (0.47) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5778482 0.86 ITGAV (0.75) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5780694 0.84 ITGAV (0.58) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5778079 0.84 ITGAV (0.61) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5780692 0.83 ITGAV (0.55) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5779767 0.80 ITGAV (0.53) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5781866 0.80 ITGAV (0.59) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5778178 0.80 ITGAV (0.54) ITGAVITGB3ITGA2BITGB1ITGA5

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 6 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
EP-0944619-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 1999-09-29 EP disclosed
WO-1998023608-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS DUPONT PHARMACEUTICALS COMPANY (US) 1998-06-04 WO disclosed