SCHEMBL5780950

SCHEMBL5780950

O=C(NC(CNC(=O)c1cn(CCc2ccccc2)c2cc(CNC3NCCN3)ccc2c1=O)C(=O)O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.42
ITGAV P06756 14/20 0.42
CNR2 P34972 3/20 0.39
CNR1 P21554 3/20 0.39
ITGA2B P08514 4/20 0.38
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL5778299 0.91 CNR2 (0.45) CNR2CNR1
SCHEMBL5779626 0.91 ITGB3 (0.43) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL5782259 0.89 ITGB3 (0.41) ITGB3ITGAVCNR2CNR1ITGA2B
SCHEMBL5780955 0.85 ITGB3 (0.57) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL1071518 0.84 ITGB3 (0.40) ITGB3ITGAVITGA2B
SCHEMBL5778802 0.82 CNR2 (0.45) ITGB3ITGAVCNR2CNR1ITGA2B
SCHEMBL5780692 0.82 ITGAV (0.55) ITGB3ITGAVCNR2CNR1ITGA2B
SCHEMBL5779214 0.81 CNR2 (0.41) ITGB3ITGAVCNR2CNR1
SCHEMBL5778333 0.80 CNR1 (0.38) ITGB3ITGAVCNR2CNR1ITGA2B
SCHEMBL5779660 0.80 ITGB3 (0.42) ITGB3ITGAVITGA2BEGLN2EGLN1

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 8 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
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