SCHEMBL5780955

SCHEMBL5780955

O=C(NC(CNC(=O)c1cn(CCc2ccccc2)c2cc(CNC3=NCCN3)ccc2c1=O)C(=O)O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.57
ITGAV P06756 19/20 0.57
ITGA2B P08514 6/20 0.45
EGLN2 Q96KS0 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL5783014 0.92 ITGB3 (0.49) ITGB3ITGAVITGA2B
SCHEMBL5783132 0.91 ITGB3 (0.59) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL5776991 0.86 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL1071525 0.85 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL5780950 0.85 ITGB3 (0.42) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL5778812 0.83 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL5780694 0.83 ITGAV (0.58) ITGB3ITGAVITGA2B
SCHEMBL5782259 0.82 ITGB3 (0.41) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL5780345 0.81 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL1069387 0.79 ITGB3 (0.56) 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