SCHEMBL12371945

SCHEMBL12371945

CC(C)CC(CC(C)C)OC(=O)OCCN(CCOC(=O)OC(CC(C)C)CC(C)C)CC(C)OC(=O)C(C)(C)Br

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL12371937 0.90 PRKCA (0.34)
SCHEMBL13654589 0.78 CTSK (0.34)
SCHEMBL17082791 0.75 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13654514 0.75 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12371942 0.74 PRKCA (0.36)
SCHEMBL17805909 0.73 DNM1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17805908 0.70 DNM1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17805898 0.68 TSHR (0.40)
SCHEMBL22460428 0.67 DNM1 (0.42)
SCHEMBL17807355 0.67 TSHR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722830-B2 Polymer-dendrimer hybrids THE UNIVERSITY OF LIVERPOOL (GB) 2014-05-13 US disclosed
US-8722830-B2 Polymer-dendrimer hybrids THE UNIVERSITY OF LIVERPOOL (GB) 2014-05-13 US disclosed
US-20130231450-A1 POLYMER-DENDRIMER HYBRIDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-09-05 US disclosed
US-20130231450-A1 POLYMER-DENDRIMER HYBRIDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-09-05 US disclosed
US-20110201773-A1 POLYMER-DENDRIMER HYBRIDS ULIVE ENTERPRISES LTD. (GB) 2011-08-18 US disclosed