SCHEMBL6949490

SCHEMBL6949490

Nc1cc(CCCNC(=O)c2ccc3c(c2)NC(CC(=O)O)C(=O)N(CCc2ccccc2)C3)ccn1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.65
ITGA2B P08514 16/20 0.65
ITGAV P06756 8/20 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
SCHEMBL6953539 0.95 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6947934 0.91 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL6951683 0.91 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL6678944 0.88 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL6952615 0.87 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL6952601 0.87 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL6946016 0.86 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL6945918 0.86 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL6949391 0.86 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL6945933 0.86 ITGB3 (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP claimed
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed