SCHEMBL5778802

SCHEMBL5778802

CCCCS(=O)(=O)NC(CNC(=O)c1cn(CCc2ccccc2)c2cc(CNC3NCCN3)ccc2c1=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.45
CNR1 P21554 7/20 0.45
ITGB3 P05106 8/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 7/20 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
SCHEMBL8313989 0.95 CNR2 (0.47) CNR2CNR1ITGB3ITGAVITGA2B
SCHEMBL5780701 0.90 ITGB3 (0.44) CNR1ITGB3ITGAVITGA2B
SCHEMBL5780511 0.89 CNR2 (0.42) CNR2CNR1ITGB3ITGAVITGA2B
SCHEMBL5776987 0.88 ITGB3 (0.47) CNR2CNR1ITGB3ITGAVITGA2B
SCHEMBL5780692 0.86 ITGAV (0.55) CNR2CNR1ITGB3ITGAVITGA2B
SCHEMBL5778299 0.86 CNR2 (0.45) CNR2CNR1
SCHEMBL5778812 0.86 ITGB3 (0.45) CNR2CNR1ITGB3ITGAVITGA2B
SCHEMBL1071434 0.85 ITGB3 (0.39) CNR2ITGB3ITGAVITGA2B
SCHEMBL5780950 0.82 ITGB3 (0.42) CNR2CNR1ITGB3ITGAVITGA2B
SCHEMBL5779990 0.79 ITGB3 (0.41) CNR1ITGB3ITGAVITGA2B

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