SCHEMBL7318601

SCHEMBL7318601

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
SCN9A Q15858 2/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MDM2 Q00987 1/20 0.34
BRD4 O60885 1/20 0.34
DRD2 P14416 2/20 0.33
UTS2R Q9UKP6 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL7327457 0.92 TPSAB1 (0.35) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7324643 0.92 PDCD1 (0.36) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7326347 0.92 TPSAB1 (0.37) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7334878 0.91 TPSAB1 (0.35) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL9493733 0.91 PDCD1 (0.36) PDCD1CD274SIGMAR1SCN9AITGB3
SCHEMBL7333235 0.88 SCN9A (0.38) SCN9AITGB3ITGA2BF2F10
SCHEMBL7326230 0.86 HDAC1 (0.37) SCN9AMDM2UTS2RHDAC3HDAC1
SCHEMBL9262540 0.85 SCN9A (0.34) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7328680 0.85 MDM2 (0.36) ITGB3ITGA2BF2F10MDM2
SCHEMBL7324561 0.85 SCN9A (0.32) SCN9AITGB3ITGA2BF2F10

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