SCHEMBL7330496

SCHEMBL7330496

CCOC(=O)CCN1CC(=O)N(Cc2ccc(Oc3ccccc3)cc2)c2ccc(CCCCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
NAMPT P43490 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
DRD2 P14416 4/20 0.35
BRD4 O60885 1/20 0.35
CHRM5 P08912 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL7331215 1.00 TPSAB1 (0.39) TPSAB1TPSD1TPSG1SIGMAR1NAMPT
SCHEMBL7323040 0.95 SIGMAR1 (0.37) TPSAB1TPSD1TPSG1SIGMAR1NAMPT
SCHEMBL7322297 0.95 SIGMAR1 (0.37) TPSAB1TPSD1TPSG1SIGMAR1NAMPT
SCHEMBL7326634 0.92 TPSAB1 (0.37) TPSAB1TPSD1TPSG1DRD2BRD4
SCHEMBL7325841 0.92 TPSAB1 (0.37) TPSAB1TPSD1TPSG1DRD2BRD4
SCHEMBL8842938 0.91 TPSAB1 (0.39) TPSAB1TPSD1TPSG1SIGMAR1NAMPT
SCHEMBL7321682 0.91 TPSAB1 (0.39) TPSAB1TPSD1TPSG1SIGMAR1NAMPT
SCHEMBL7356624 0.90 TPSAB1 (0.37) TPSAB1TPSD1TPSG1SIGMAR1NAMPT
SCHEMBL7324584 0.89 PPARD (0.38) TPSAB1TPSD1TPSG1SIGMAR1NAMPT
SCHEMBL7324616 0.89 PPARD (0.38) TPSAB1TPSD1TPSG1SIGMAR1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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