SCHEMBL7985892

SCHEMBL7985892

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2cccc3c2cnn3CCCNc2ccccn2)C(=O)O)c(C)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.78
ITGB3 P05106 18/20 0.78
ITGA2B P08514 15/20 0.75
ITGB1 P05556 1/20 0.48
ITGA5 P08648 1/20 0.48

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
SCHEMBL7347222 0.95 ITGB3 (0.71) ITGAVITGB3ITGA2B
SCHEMBL7356151 0.95 ITGB3 (0.70) ITGAVITGB3ITGA2B
SCHEMBL7349313 0.89 ITGAV (0.62) ITGAVITGB3ITGA2B
SCHEMBL7353336 0.89 ITGB3 (0.72) ITGAVITGB3ITGA2B
SCHEMBL7985900 0.88 ITGB3 (0.61) ITGAVITGB3ITGA2B
SCHEMBL7985902 0.88 ITGB3 (1.00) ITGAVITGB3ITGA2B
SCHEMBL7352205 0.87 ITGB3 (0.67) ITGAVITGB3ITGA2B
SCHEMBL4204480 0.86 ITGB3 (1.00) ITGAVITGB3ITGA2B
SCHEMBL7985820 0.86 ITGB3 (1.00) ITGAVITGB3ITGA2B
SCHEMBL7979373 0.85 ITGAV (0.75) ITGAVITGB3ITGA2B

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
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US claimed
EP-0939757-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS Dupont Pharmaceuticals Company (US) 1999-09-08 EP claimed
WO-1997023480-A1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-03 WO claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed