SCHEMBL7602811

SCHEMBL7602811

N=C(NC(=O)OCc1ccccc1)c1ccc(CNC(=O)c2ccc3c(c2)N[C@@H](CC(=O)O)C(=O)N(CCc2ccccc2)C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGA2B P08514 15/20 0.61
ITGAV P06756 7/20 0.55

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
SCHEMBL6949743 1.00 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6949753 1.00 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7442994 0.94 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL6673831 0.92 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL7396908 0.91 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7396914 0.91 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7439938 0.90 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7439963 0.90 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7445083 0.90 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7433059 0.88 ITGB3 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed