SCHEMBL7304039

SCHEMBL7304039

CN(C(=O)c1ccc2c(c1)CC(CC(=O)O)CC2)c1ccc(C(=N)N)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.65
ITGA2B P08514 19/20 0.65
PLAU P00749 1/20 0.46

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
SCHEMBL7306183 0.94 ITGB3 (0.65) ITGB3ITGA2BPLAU
SCHEMBL7309674 0.90 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7308797 0.88 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7301374 0.87 ITGB3 (0.50) ITGB3ITGA2BPLAU
SCHEMBL7307341 0.87 ITGB3 (0.50) ITGB3ITGA2BPLAU
SCHEMBL7309135 0.87 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7299972 0.86 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7301036 0.85 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7298537 0.84 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7302130 0.84 ITGB3 (0.56) ITGB3ITGA2B

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-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed