SCHEMBL7361241

SCHEMBL7361241

CCOC(=O)CCN1CC(=O)N(Cc2cccc(N)c2)c2ccc(CCCCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
BRD4 O60885 1/20 0.36
DRD2 P14416 4/20 0.36
SIGMAR1 Q99720 2/20 0.36
TNF P01375 2/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
NAMPT P43490 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7356624 0.93 TPSAB1 (0.37) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7322297 0.90 SIGMAR1 (0.37) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7323040 0.90 SIGMAR1 (0.37) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL8842938 0.90 TPSAB1 (0.39) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7321682 0.90 TPSAB1 (0.39) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7353751 0.90 CA1 (0.39) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7357809 0.90 CA1 (0.42) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7357220 0.89 TPSAB1 (0.39) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7325841 0.88 TPSAB1 (0.37) TPSAB1TPSD1TPSG1BRD4DRD2
SCHEMBL7326634 0.88 TPSAB1 (0.37) TPSAB1TPSD1TPSG1BRD4DRD2

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