SCHEMBL5780960

SCHEMBL5780960

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2cn(CCc3ccccc3)c3cc(CNc4nc5ccccc5[nH]4)ccc3c2=O)C(=O)O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.61
ITGB3 P05106 15/20 0.61
ITGB1 P05556 7/20 0.49
ITGA5 P08648 6/20 0.48
ITGA2B P08514 8/20 0.42

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
SCHEMBL5781866 0.92 ITGAV (0.59) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5778482 0.89 ITGAV (0.75) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5779563 0.89 ITGAV (0.58) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL1070634 0.86 ITGAV (0.49) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5778079 0.85 ITGAV (0.61) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5780694 0.84 ITGAV (0.58) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5778178 0.84 ITGAV (0.54) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5780692 0.83 ITGAV (0.55) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5779695 0.81 ITGAV (0.60) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5779767 0.81 ITGAV (0.53) ITGAVITGB3ITGB1ITGA5ITGA2B

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