SCHEMBL7328669

SCHEMBL7328669

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

nearest known ligand 0.37

Predicted protein targets (top 16)

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 0.34
BRD4 O60885 1/20 0.34
DRD2 P14416 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
CACNA1G O43497 1/20 0.33
ACE P12821 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 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
SCHEMBL7324643 0.92 PDCD1 (0.36) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7326347 0.92 TPSAB1 (0.37) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL9492960 0.91 PDCD1 (0.38) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7326646 0.91 TPSAB1 (0.36) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7325515 0.90 TPSAB1 (0.35) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL7328434 0.88 SCN9A (0.32) PDCD1CD274
SCHEMBL7324381 0.86 ADORA3 (0.34) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL9261803 0.86 PDCD1 (0.34) PDCD1CD274TPSAB1TPSD1TPSG1
SCHEMBL8843197 0.85 MAPT (0.32) MAPTATM
SCHEMBL7332332 0.85 PPIA (0.32)

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