SCHEMBL7326347

SCHEMBL7326347

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
DRD2 P14416 3/20 0.36
SIGMAR1 Q99720 2/20 0.35
SCN9A Q15858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CCKBR P32239 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
SCHEMBL7326646 0.92 TPSAB1 (0.36) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7318601 0.92 TPSAB1 (0.36) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7328669 0.92 PDCD1 (0.37) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7325515 0.91 TPSAB1 (0.35) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL9493013 0.91 PDCD1 (0.37) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7332035 0.88 SCN9A (0.39) SCN9ACCKBR
SCHEMBL7321486 0.86 HDAC1 (0.38) TPSAB1TPSD1TPSG1DRD2HDAC3
SCHEMBL9264467 0.85 MDM2 (0.34) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7327457 0.85 TPSAB1 (0.35) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7330344 0.85 MDM2 (0.36)

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