SCHEMBL5780701

SCHEMBL5780701

CCCCS(=O)(=O)NC(CNC(=O)c1cn(C)c2cc(CNC3NCCN3)ccc2c1=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.44
ITGA2B P08514 11/20 0.44
ITGAV P06756 1/20 0.41
TSHR P16473 1/20 0.39
CNR1 P21554 2/20 0.39
POLB P06746 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 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
SCHEMBL5778802 0.90 CNR2 (0.45) ITGB3ITGA2BITGAVCNR1
SCHEMBL5779990 0.88 ITGB3 (0.41) ITGB3ITGA2BITGAVTSHRCNR1
SCHEMBL5781175 0.85 ITGAV (0.54) ITGB3ITGA2BITGAV
SCHEMBL5778333 0.85 CNR1 (0.38) ITGB3ITGA2BITGAVTSHRCNR1
SCHEMBL5782856 0.84 ITGB3 (0.45) ITGB3ITGA2BITGAVTSHRSMN1; SMN2
SCHEMBL8313989 0.84 CNR2 (0.47) ITGB3ITGA2BITGAVCNR1
SCHEMBL1071119 0.82 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL5778436 0.82 ITGB3 (0.45) ITGB3ITGA2BITGAVF2LMNA
SCHEMBL5779626 0.79 ITGB3 (0.43) ITGB3ITGA2BITGAVPOLBTP53
SCHEMBL5780511 0.79 CNR2 (0.42) ITGB3ITGA2BITGAVCNR1

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