SCHEMBL7324616

SCHEMBL7324616

CCOC(=O)CCN1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(CCCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.38
PPARA Q07869 7/20 0.38
PPARG P37231 6/20 0.38
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
P2RY14 Q15391 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRB3 P13945 1/20 0.34
HRH2 P25021 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
DRD2 P14416 2/20 0.34
BRD4 O60885 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
NAMPT P43490 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
SCHEMBL7324584 1.00 PPARD (0.38) PPARDPPARAPPARGTPSAB1TPSD1
SCHEMBL7356624 0.92 TPSAB1 (0.37) TPSAB1TPSD1TPSG1DRD2BRD4
SCHEMBL7326634 0.91 TPSAB1 (0.37) TPSAB1TPSD1TPSG1DRD2BRD4
SCHEMBL7325841 0.91 TPSAB1 (0.37) TPSAB1TPSD1TPSG1DRD2BRD4
SCHEMBL7364280 0.89 CA1 (0.40) TPSAB1TPSD1TPSG1NAMPTHDAC1
SCHEMBL7330496 0.89 TPSAB1 (0.39) TPSAB1TPSD1TPSG1HRH3DRD2
SCHEMBL8837087 0.89 TLR7 (0.38) TPSAB1TPSD1TPSG1DRD2BRD4
SCHEMBL7331215 0.89 TPSAB1 (0.39) TPSAB1TPSD1TPSG1HRH3DRD2
SCHEMBL7321682 0.88 TPSAB1 (0.39) TPSAB1TPSD1TPSG1DRD2BRD4
SCHEMBL8842938 0.88 TPSAB1 (0.39) TPSAB1TPSD1TPSG1DRD2BRD4

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