SCHEMBL5783014

SCHEMBL5783014

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.49
ITGAV P06756 12/20 0.49
CNR1 P21554 7/20 0.42
CNR2 P34972 6/20 0.41
ITGA2B P08514 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
SCHEMBL5780955 0.92 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL5780345 0.90 ITGB3 (0.48) ITGB3ITGAVCNR1ITGA2B
SCHEMBL5778812 0.87 ITGB3 (0.45) ITGB3ITGAVCNR1CNR2ITGA2B
SCHEMBL1066564 0.86 ITGB3 (0.47) ITGB3ITGAVCNR2ITGA2B
SCHEMBL5778299 0.86 CNR2 (0.45) CNR1CNR2
SCHEMBL5783132 0.84 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL5779214 0.83 CNR2 (0.41) ITGB3ITGAVCNR1CNR2
SCHEMBL5776991 0.83 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL5780694 0.81 ITGAV (0.58) ITGB3ITGAVITGA2B
SCHEMBL1071525 0.78 ITGB3 (0.54) 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