SCHEMBL7323767

SCHEMBL7323767

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(c2ccccc2)c2ccc(C#CC(S)CNC(=N)N)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL8842868 0.93 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7325700 0.90 ITGB3 (0.42) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7319994 0.89 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7327465 0.89 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL7323959 0.89 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7333120 0.87 ITGB3 (0.44) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7323534 0.86 ITGB3 (0.45) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7329607 0.86 ITGB3 (0.43) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7333983 0.85 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL7331883 0.85 ITGB3 (0.40) 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 7 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed