SCHEMBL7595440

SCHEMBL7595440

CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc3c(c2)N[C@H](CC(=O)O)C(=O)N(CCc2ccccc2)C3)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.70
ITGA2B P08514 17/20 0.70
ITGAV P06756 4/20 0.62
NAMPT P43490 1/20 0.47

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
SCHEMBL7595444 1.00 ITGB3 (0.70) ITGB3ITGA2BITGAVNAMPT
SCHEMBL7437648 0.94 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7437642 0.94 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7436993 0.92 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL7439672 0.90 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL7439676 0.90 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL7507520 0.86 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL7402331 0.85 ITGB3 (0.83) ITGB3ITGA2BITGAV
SCHEMBL7592827 0.85 ITGB3 (0.83) ITGB3ITGA2BITGAV
SCHEMBL7447501 0.84 ITGB3 (0.77) 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