SCHEMBL7306922

SCHEMBL7306922

CCCCOC(=O)CC1COc2ccc(C(=O)N(C)c3ccc(C(=N)N)cc3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.49
ITGA2B P08514 12/20 0.49
PLAU P00749 1/20 0.37
ALOX5 P09917 1/20 0.36
F2 P00734 2/20 0.36
MTNR1A P48039 2/20 0.35
LTB4R Q15722 1/20 0.34

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
SCHEMBL7299889 0.91 ITGB3 (0.52) ITGB3ITGA2BPLAUALOX5F2
SCHEMBL7307930 0.90 ITGB3 (0.50) ITGB3ITGA2BPLAUALOX5F2
SCHEMBL7306587 0.86 ITGB3 (0.52) ITGB3ITGA2BPLAUALOX5F2
SCHEMBL7297127 0.85 ITGB3 (0.66) ITGB3ITGA2BPLAUALOX5F2
SCHEMBL7298526 0.84 ITGB3 (0.71) ITGB3ITGA2BPLAU
SCHEMBL7298548 0.81 ITGB3 (0.52) ITGB3ITGA2BPLAUALOX5F2
SCHEMBL7309097 0.79 ITGB3 (0.47) ITGB3ITGA2BPLAU
SCHEMBL7306404 0.79 ITGB3 (0.66) ITGB3ITGA2BPLAUALOX5
SCHEMBL7299371 0.78 ITGB3 (0.58) ITGB3ITGA2BF2
SCHEMBL7304655 0.78 ITGB3 (0.73) ITGB3ITGA2BPLAU

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