SCHEMBL7437618

SCHEMBL7437618

NN=Cc1ccc(C#Cc2ccc3c(c2)CC(CC(=O)O)C(=O)N(CCc2ccccc2)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.52
ITGA2B P08514 18/20 0.52
FFAR1 O14842 1/20 0.39
ITGAV P06756 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL7437608 0.84 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL6677682 0.83 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL6947653 0.82 ITGB3 (0.78) ITGB3ITGA2BITGAV
SCHEMBL7401590 0.80 ITGB3 (0.56) ITGB3ITGA2BITGAV
SCHEMBL6674870 0.79 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL7445038 0.77 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL6675207 0.77 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6675212 0.77 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL6951807 0.77 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL6654075 0.74 ITGB3 (0.62) 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