SCHEMBL12635751

SCHEMBL12635751

CCOC(=O)c1ccc2c(c1)[n+](C)c(CNC(=O)c1nc(Cl)c(N)nc1N)n2CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 2/20 0.43
DRD5 P21918 1/20 0.43
SCNN1B P51168 1/20 0.43
SCNN1G P51170 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 7/20 0.37
MAPT P10636 5/20 0.37
HPGD P15428 4/20 0.37
ATM Q13315 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NLRP3 Q96P20 1/20 0.36
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 2/20 0.35
S1PR3 Q99500 1/20 0.35

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 SCHEMBL2014385 0.99 SCNN1A (0.43) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12636676 0.93 SCNN1A (0.48) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635755 0.93 SCNN1A (0.44) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2015981 0.92 SCNN1A (0.48) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2020382 0.92 SCNN1A (0.44) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12634862 0.90 SCNN1A (0.45) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2016200 0.89 SCNN1A (0.45) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12636282 0.86 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2021015 0.85 SCNN1A (0.49) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12636285 0.85 SCNN1A (0.46) 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