SCHEMBL12635781

SCHEMBL12635781

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)[n+](C)c2ccc(OCC(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 11/20 0.44
DRD5 P21918 1/20 0.44
SCNN1B P51168 1/20 0.44
SCNN1G P51170 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ACSS2 Q9NR19 1/20 0.38
KCNH2 Q12809 2/20 0.36
CTSA P10619 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
KLKB1 P03952 1/20 0.34
MAP4K4 O95819 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 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
Iodide SCHEMBL2020004 0.99 SCNN1A (0.44) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635780 0.93 SCNN1A (0.44) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL2020727 0.92 SCNN1A (0.46) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2015067 0.92 SCNN1A (0.43) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL17937122 0.91 SCNN1A (0.52) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12636698 0.91 SCNN1A (0.45) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2017223 0.90 SCNN1A (0.44) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12636291 0.90 SCNN1A (0.45) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12636682 0.90 KCNH2 (0.48) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2043292 0.89 SCNN1A (0.44) SCNN1ADRD5SCNN1BSCNN1GHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed