SCHEMBL7330617

SCHEMBL7330617

CN1C(=O)CN(CCC(=O)OCc2ccccc2)C(=O)c2cc(CCCCCNC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
TPSAB1 Q15661 3/20 0.42
TPSD1 Q9BZJ3 3/20 0.42
TPSG1 Q9NRR2 3/20 0.42
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
PLG P00747 1/20 0.38
ELANE P08246 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37

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
SCHEMBL7325330 0.86 KLK7 (0.41) SIGMAR1DRD2L3MBTL1MAPTMEN1
SCHEMBL7327044 0.85 ITGB3 (0.44) SIGMAR1TPSAB1TPSD1TPSG1DRD2
SCHEMBL7325520 0.85 TPSAB1 (0.41) SIGMAR1TPSAB1TPSD1TPSG1NPSR1
SCHEMBL7327440 0.83 TPSAB1 (0.40) SIGMAR1TPSAB1TPSD1TPSG1NPSR1
SCHEMBL7333421 0.83 TPSAB1 (0.40) SIGMAR1TPSAB1TPSD1TPSG1NPSR1
SCHEMBL7325740 0.82 SIGMAR1 (0.39) SIGMAR1TPSAB1TPSD1TPSG1DRD2
SCHEMBL7331215 0.82 TPSAB1 (0.39) SIGMAR1TPSAB1TPSD1TPSG1DRD2
SCHEMBL7330496 0.82 TPSAB1 (0.39) SIGMAR1TPSAB1TPSD1TPSG1DRD2
SCHEMBL7323040 0.81 SIGMAR1 (0.37) SIGMAR1TPSAB1TPSD1TPSG1DRD2
SCHEMBL7322297 0.81 SIGMAR1 (0.37) SIGMAR1TPSAB1TPSD1TPSG1DRD2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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