SCHEMBL7329983

SCHEMBL7329983

CCOC(=O)CC(C)N1CC(=O)N(C(C)C)c2ccc(CCCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
BRD4 O60885 1/20 0.35
DRD2 P14416 4/20 0.34
NAMPT P43490 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7321741 0.92 ITGB3 (0.39) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7322514 0.90 UTS2R (0.37) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7335699 0.88 PDCD1 (0.38) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7327168 0.88 SIGMAR1 (0.37) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7327778 0.87 GABRA1 (0.33) ITGB3ITGA2B
SCHEMBL7319105 0.85 ITGB3 (0.39) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7334375 0.83 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL7326385 0.83 MEN1 (0.32) MEN1KMT2A
SCHEMBL7330768 0.82 GABRA1 (0.31)
SCHEMBL7326098 0.81 RXRA (0.33) 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
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