SCHEMBL7445202

SCHEMBL7445202

NCc1ccc(/C=C/c2ccc3c(c2)NC(CC(=O)O)C(=O)N(CCc2ccccc2)C3)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.70
ITGA2B P08514 16/20 0.70
ITGAV P06756 6/20 0.53

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
SCHEMBL7449372 1.00 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7445207 1.00 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7445213 1.00 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7443526 0.90 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7443531 0.90 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7440344 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7440337 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7441820 0.83 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7441813 0.83 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7395216 0.83 ITGB3 (0.65) 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
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed