SCHEMBL5779626

SCHEMBL5779626

Cn1cc(C(=O)NCC(NC(=O)OCc2ccccc2)C(=O)O)c(=O)c2ccc(CNC3NCCN3)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.43
ITGAV P06756 13/20 0.43
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
ITGA2B P08514 4/20 0.39
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
S1PR1 P21453 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
SCHEMBL5780950 0.91 ITGB3 (0.42) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL5778333 0.89 CNR1 (0.38) ITGB3ITGAVITGA2BPOLBS1PR1
SCHEMBL5779660 0.88 ITGB3 (0.42) ITGB3ITGAVTP53THRBITGA2B
SCHEMBL5783132 0.84 ITGB3 (0.59) ITGB3ITGAVTP53THRBITGA2B
SCHEMBL1069383 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL5778299 0.83 CNR2 (0.45)
SCHEMBL5782259 0.80 ITGB3 (0.41) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL5780701 0.79 ITGB3 (0.44) ITGB3ITGAVTP53THRBITGA2B
SCHEMBL5781175 0.79 ITGAV (0.54) ITGB3ITGAVITGA2B
SCHEMBL1071518 0.78 ITGB3 (0.40) 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 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