SCHEMBL7326194

SCHEMBL7326194

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(CCCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
UTS2R Q9UKP6 1/20 0.35
NAMPT P43490 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR3 P49682 2/20 0.34
BRD4 O60885 1/20 0.34
DRD2 P14416 2/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 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
SCHEMBL7335699 0.92 PDCD1 (0.38) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7334319 0.92 SIGMAR1 (0.37) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL8842848 0.90 PDCD1 (0.38) PDCD1CD274SIGMAR1UTS2RNAMPT
SCHEMBL7322514 0.90 UTS2R (0.37) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7326950 0.90 NPSR1 (0.37) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7330816 0.88 MEN1 (0.33) PDCD1CD274MEN1KMT2ACXCR3
SCHEMBL8842947 0.86 UTS2R (0.34) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7326692 0.86 ADORA3 (0.36) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7327121 0.85 KMT2A (0.37) MEN1KMT2AMAPTGAA
SCHEMBL7325984 0.85 MEN1 (0.36) MEN1KMT2AMAPT

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