SCHEMBL7327168

SCHEMBL7327168

CCOC(=O)CC(C)N1CC(=O)N(Cc2ccccc2)c2ccc(CCCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.36
DRD2 P14416 3/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
NAMPT P43490 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 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
SCHEMBL7326950 0.92 NPSR1 (0.37) SIGMAR1TPSAB1TPSD1TPSG1PDCD1
SCHEMBL7335699 0.89 PDCD1 (0.38) SIGMAR1TPSAB1TPSD1TPSG1PDCD1
SCHEMBL7321741 0.88 ITGB3 (0.39) SIGMAR1TPSAB1TPSD1TPSG1PDCD1
SCHEMBL7329983 0.88 TPSAB1 (0.36) SIGMAR1TPSAB1TPSD1TPSG1PDCD1
SCHEMBL7330420 0.88 HDAC1 (0.34) HDAC1HDAC6ITGB3ITGA2B
SCHEMBL7326612 0.87 ITGB3 (0.38) SIGMAR1BRD4DRD2ITGB3ITGA2B
SCHEMBL7330135 0.85 MAPT (0.40) NPSR1ITGB3ITGA2BMAPT
SCHEMBL7331369 0.84 PPIA (0.33) HDAC1HDAC6ITGB3ITGA2B
SCHEMBL7325515 0.84 TPSAB1 (0.35) SIGMAR1TPSAB1TPSD1TPSG1PDCD1
SCHEMBL8842852 0.84 ITGB3 (0.38) SIGMAR1PDCD1CD274NPSR1HDAC1

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