SCHEMBL8842976

SCHEMBL8842976

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(C(C)C)c2ccc(CCCC(S)NC(=N)N)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.36
ITGA2B P08514 6/20 0.36
RXRA P19793 2/20 0.31

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
SCHEMBL7330299 0.92 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7331412 0.91 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL7328759 0.89 ITGB3 (0.34) ITGB3ITGA2BRXRA
SCHEMBL7330932 0.89 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7330721 0.88 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7323748 0.87 ITGB3 (0.37) ITGB3ITGA2BRXRA
SCHEMBL7326445 0.84 ITGB3 (0.35) ITGB3ITGA2BRXRA
SCHEMBL7325465 0.84 ITGB3 (0.36) ITGB3ITGA2BRXRA
SCHEMBL7329938 0.83
SCHEMBL7323600 0.82 ITGB3 (0.39) 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 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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed