SCHEMBL7326646

SCHEMBL7326646

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 1/20 0.34
DRD2 P14416 3/20 0.34
UTS2R Q9UKP6 1/20 0.33
SIGMAR1 Q99720 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 0.33
SCN9A Q15858 1/20 0.33
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
SCHEMBL7327457 0.93 TPSAB1 (0.35) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7326347 0.92 TPSAB1 (0.37) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7328669 0.91 PDCD1 (0.37) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7325515 0.90 TPSAB1 (0.35) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL8959459 0.88 SCN9A (0.35) SCN9A
SCHEMBL7330839 0.86 ADORA3 (0.34) TPSAB1TPSD1TPSG1BRD4UTS2R
SCHEMBL7331912 0.85 PPIA (0.32) SCN9A
SCHEMBL7324864 0.85 KDM4E (0.32)
SCHEMBL7318601 0.84 TPSAB1 (0.36) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL9494267 0.84 PDCD1 (0.36) TPSAB1TPSD1TPSG1PDCD1CD274

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 6 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
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