SCHEMBL5780692

SCHEMBL5780692

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2cn(CCc3ccccc3)c3cc(CNC4NCCN4)ccc3c2=O)C(=O)O)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 14/20 0.55
ITGB3 P05106 12/20 0.55
ITGB1 P05556 3/20 0.39
ITGA5 P08648 3/20 0.39
ITGA2B P08514 7/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
ITGB5 P18084 1/20 0.38

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
SCHEMBL5776987 0.91 ITGB3 (0.47) ITGAVITGB3ITGA2BCNR2CNR1
SCHEMBL5781175 0.90 ITGAV (0.54) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5779767 0.89 ITGAV (0.53) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5778802 0.86 CNR2 (0.45) ITGAVITGB3ITGA2BCNR2CNR1
SCHEMBL5780694 0.86 ITGAV (0.58) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL1070402 0.85 ITGAV (0.44) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5778482 0.84 ITGAV (0.75) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5778079 0.84 ITGAV (0.61) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5780960 0.83 ITGAV (0.61) ITGAVITGB3ITGB1ITGA5ITGA2B
SCHEMBL5779563 0.83 ITGAV (0.58) 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 7 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
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