SCHEMBL7364280

SCHEMBL7364280

CCOC(=O)CCN1CC(=O)N(Cc2ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc2)c2ccc(CCCCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
WDR5 P61964 2/20 0.40
TLR7 Q9NYK1 4/20 0.39
NAMPT P43490 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
NCOR2 Q9Y618 1/20 0.36
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 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
SCHEMBL8837087 0.97 TLR7 (0.38) CA1CA2WDR5TLR7NAMPT
SCHEMBL7357809 0.94 CA1 (0.42) CA1CA2WDR5TLR7NAMPT
SCHEMBL7353751 0.91 CA1 (0.39) CA1CA2TLR7NAMPTTPSAB1
SCHEMBL7356624 0.90 TPSAB1 (0.37) TLR7NAMPTTPSAB1TPSD1TPSG1
SCHEMBL7325841 0.90 TPSAB1 (0.37) TPSAB1TPSD1TPSG1HDAC6KDM4E
SCHEMBL7326634 0.90 TPSAB1 (0.37) TPSAB1TPSD1TPSG1HDAC6KDM4E
SCHEMBL7362781 0.90 TPSAB1 (0.38) CA1CA2WDR5TLR7NAMPT
SCHEMBL7324616 0.89 PPARD (0.38) NAMPTTPSAB1TPSD1TPSG1HDAC1
SCHEMBL7324584 0.89 PPARD (0.38) NAMPTTPSAB1TPSD1TPSG1HDAC1
SCHEMBL7331215 0.88 TPSAB1 (0.39) NAMPTTPSAB1TPSD1TPSG1HDAC1

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