SCHEMBL7325700

SCHEMBL7325700

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.42
ITGA2B P08514 7/20 0.42
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 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
SCHEMBL8842987 0.92 ITGB3 (0.36) ITGB3ITGA2BKMT2A
SCHEMBL7323767 0.90 ITGB3 (0.43) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7328704 0.89 ITGB3 (0.52) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL7323019 0.89 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL7331400 0.88 ITGB3 (0.42) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL7319580 0.87 ITGB3 (0.45) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7335596 0.87 ITGB3 (0.42) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7333128 0.85 ITGB3 (0.40) ITGB3ITGA2BALDH1A1CYP1A2MAPT
SCHEMBL7326124 0.84 ITGB3 (0.39) ITGB3ITGA2BKMT2A
SCHEMBL7334573 0.84 ITGB3 (0.46) ITGB3ITGA2BKMT2AGABRG2GABRB3

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