SCHEMBL7437608

SCHEMBL7437608

N=C(N)c1ccc(C#Cc2ccc3c(c2)CC(CC(=O)O)C(=O)N(CCc2ccccc2)C3)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.71
ITGA2B P08514 20/20 0.71
ITGAV P06756 2/20 0.51

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
SCHEMBL6676552 0.84 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7437618 0.84 ITGB3 (0.52) ITGB3ITGA2BITGAV
SCHEMBL6677664 0.84 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6677677 0.84 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6679147 0.84 ITGB3 (0.92) ITGB3ITGA2BITGAV
SCHEMBL6677670 0.83 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL6675207 0.82 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6675212 0.82 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7399458 0.81 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7399461 0.81 ITGB3 (0.72) 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