SCHEMBL7363899

SCHEMBL7363899

CCCC(=O)N1CC(=O)N(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(OCCN)cc3)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.36
TP53 P04637 3/20 0.35
MAPT P10636 2/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
CHRM5 P08912 2/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
CASP3 P42574 3/20 0.34
CASP7 P55210 3/20 0.34
F2 P00734 1/20 0.33
DHODH Q02127 1/20 0.33
P2RX3 P56373 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HDAC1 Q13547 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
SCHEMBL7356330 0.87 ITGB3 (0.39) F10CHRM5F2
SCHEMBL7362910 0.85 CHRM5 (0.37) CHRM5RARARARBCASP3CASP7
SCHEMBL7363866 0.84 ITGB3 (0.37) MAPTHRH2HRH1RARARARB
SCHEMBL7359437 0.83 PPARG (0.37) TP53MAPTHRH2HRH1CHRM5
SCHEMBL7359718 0.82 ITGB3 (0.41) CHRM5CASP3CASP7HDAC1HDAC6
SCHEMBL7359440 0.82 MAP4K4 (0.39) TP53CHRM5CASP3CASP7
SCHEMBL7356059 0.80 ACACA (0.33) RARARARB
SCHEMBL7359446 0.80 P2RX3 (0.40) TP53P2RX3HDAC1HDAC6
SCHEMBL7362167 0.80 NAAA (0.39) F10CA12CA1CA2CA9
SCHEMBL7357407 0.79 ITGB3 (0.41) F10CASP3CASP7F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed