SCHEMBL7399485

SCHEMBL7399485

Cc1c[nH]c(NCCCCC2CC(C(=O)NCC(NS(=O)(=O)c3cccc4ccccc34)C(=O)O)NO2)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGA2B P08514 18/20 0.56
ITGAV P06756 17/20 0.56

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
SCHEMBL7404829 0.91 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL7403051 0.89 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7405452 0.89 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7399265 0.88 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7402317 0.88 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7982469 0.88 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7408444 0.86 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7404741 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7399085 0.86 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL7398017 0.85 ITGB3 (0.70) ITGB3ITGA2BITGAV

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP claimed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed