SCHEMBL7326950

SCHEMBL7326950

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(Cc2ccccc2)c2ccc(CCCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
BRD4 O60885 1/20 0.35
CXCR3 P49682 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
UTS2R Q9UKP6 1/20 0.34
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 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
SCHEMBL7327168 0.92 SIGMAR1 (0.37) NPSR1SIGMAR1TPSAB1TPSD1TPSG1
SCHEMBL7334319 0.91 SIGMAR1 (0.37) NPSR1SIGMAR1TPSAB1TPSD1TPSG1
SCHEMBL7326194 0.90 PDCD1 (0.37) NPSR1SIGMAR1TPSAB1TPSD1TPSG1
SCHEMBL7322514 0.90 UTS2R (0.37) NPSR1SIGMAR1TPSAB1TPSD1TPSG1
SCHEMBL7332919 0.88 HDAC1 (0.34) CXCR3HDAC1HDAC6ITGB3ITGA2B
SCHEMBL7329988 0.87 ADORA3 (0.36) SIGMAR1BRD4ITGB3ITGA2BUTS2R
SCHEMBL7326558 0.85 MEN1 (0.36) BRD4MAPTHDAC1HDAC6ITGB3
SCHEMBL7334878 0.85 TPSAB1 (0.35) NPSR1SIGMAR1TPSAB1TPSD1TPSG1
SCHEMBL7323213 0.83 EDNRB (0.32) BRD4MAPTHDAC1HDAC6ITGB3
SCHEMBL7333894 0.83 HDAC1 (0.35) MAPTHDAC1HDAC6ITGB3ITGA2B

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