SCHEMBL5778812

SCHEMBL5778812

CCCCS(=O)(=O)NC(CNC(=O)c1cn(CCc2ccccc2)c2cc(CNC3=NCCN3)ccc2c1=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.45
ITGAV P06756 12/20 0.45
ITGA2B P08514 8/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 2/20 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
SCHEMBL5782856 0.90 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL5776991 0.89 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL5780694 0.87 ITGAV (0.58) ITGB3ITGAVITGA2B
SCHEMBL5783014 0.87 ITGB3 (0.49) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL1071436 0.86 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL5778802 0.86 CNR2 (0.45) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL5780511 0.83 CNR2 (0.42) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL8313989 0.83 CNR2 (0.47) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL5780955 0.83 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL1071122 0.77 ITGB3 (0.42) ITGB3ITGAVITGA2B

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