SCHEMBL7330644

SCHEMBL7330644

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(C(C)C)c2ccc(C#Cc3cccc(CNC(=N)N)c3)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.45
ITGA2B P08514 7/20 0.45
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
TP53 P04637 1/20 0.31
ALOX5 P09917 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL7329767 0.93 ITGB3 (0.41) ITGB3ITGA2BRARARARBRARG
SCHEMBL7331627 0.90 ITGB3 (0.45) ITGB3ITGA2BTP53
SCHEMBL7323534 0.90 ITGB3 (0.45) ITGB3ITGA2BTP53
SCHEMBL7330502 0.89 ITGB3 (0.45) ITGB3ITGA2BRARARARBRARG
SCHEMBL7327769 0.85 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7323959 0.85 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7321434 0.85 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7358495 0.84 ITGB3 (0.49) ITGB3ITGA2BTP53
SCHEMBL7326338 0.84 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL7321726 0.82 ITGB3 (0.39) ITGB3ITGA2BTP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed