SCHEMBL5779660

SCHEMBL5779660

Cn1cc(C(=O)NCC(NC(=O)OCc2ccccc2)C(=O)O)c(=O)c2ccc(CNC3N=CCCN3)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.42
ITGAV P06756 16/20 0.42
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ITGA2B P08514 5/20 0.38
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGB5 P18084 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 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
SCHEMBL5782259 0.92 ITGB3 (0.41) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL5779626 0.88 ITGB3 (0.43) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL1069863 0.85 ITGB3 (0.40) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL5779214 0.85 CNR2 (0.41) ITGB3ITGAV
SCHEMBL5783132 0.82 ITGB3 (0.59) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL5779990 0.81 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL5781291 0.81 ITGAV (0.52) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL1069165 0.80 ITGB3 (0.39) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL5780950 0.80 ITGB3 (0.42) ITGB3ITGAVEGLN2EGLN1ITGA2B
SCHEMBL5778333 0.78 CNR1 (0.38) 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 6 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