SCHEMBL7324643

SCHEMBL7324643

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(CCCCCNC(=O)OC(C)(C)C)ccc2N(c2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
BRD4 O60885 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
CACNA1G O43497 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
TLR2 O60603 2/20 0.32
TLR1 Q15399 2/20 0.32
ACE P12821 1/20 0.32
CXCR3 P49682 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
DRD2 P14416 2/20 0.31

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
SCHEMBL7318601 0.92 TPSAB1 (0.36) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7328669 0.92 PDCD1 (0.37) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL9493769 0.91 PDCD1 (0.37) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7327457 0.91 TPSAB1 (0.35) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7334878 0.90 TPSAB1 (0.35) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7322604 0.88 SCN9A (0.32) PDCD1CD274CXCR3
SCHEMBL7330631 0.86 ADORA3 (0.34) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7326117 0.85 MAPT (0.31) MAPT
SCHEMBL7335488 0.85
SCHEMBL7326194 0.84 PDCD1 (0.37) PDCD1CD274TPSAB1TPSD1TPSG1

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