SCHEMBL5782259

SCHEMBL5782259

O=C(NC(CNC(=O)c1cn(CCc2ccccc2)c2cc(CNC3N=CCCN3)ccc2c1=O)C(=O)O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.41
ITGAV P06756 15/20 0.41
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ITGA2B P08514 4/20 0.37
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGB5 P18084 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL5779214 0.92 CNR2 (0.41) ITGB3ITGAVCNR1CNR2
SCHEMBL5779660 0.92 ITGB3 (0.42) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL5780950 0.89 ITGB3 (0.42) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL5781660 0.86 ITGB3 (0.43) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL1069165 0.86 ITGB3 (0.39) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL5780511 0.84 CNR2 (0.42) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL5779767 0.83 ITGAV (0.53) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL5780955 0.82 ITGB3 (0.57) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL5778299 0.81 CNR2 (0.45) CNR1CNR2
SCHEMBL1069863 0.80 ITGB3 (0.40) ITGB3ITGAVEGLN2EGLN1ITGA2B

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