SCHEMBL2018751

SCHEMBL2018751

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 12/20 0.41
DRD5 P21918 1/20 0.41
SCNN1B P51168 1/20 0.41
SCNN1G P51170 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CXCR3 P49682 2/20 0.35
KCNH2 Q12809 2/20 0.34
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 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 SCHEMBL2016021 0.99 SCNN1A (0.40) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2020864 0.95 SCNN1A (0.40) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2020532 0.92 SCNN1A (0.42) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12636332 0.88 SCNN1A (0.42) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL12635783 0.88 SCNN1A (0.45) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2053793 0.87 SCNN1A (0.42) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2017514 0.87 SCNN1A (0.45) SCNN1ADRD5SCNN1BSCNN1GHRH3
SCHEMBL2018137 0.83 ACSS2 (0.39) SCNN1ACXCR3KCNH2TP53CYP1A2
SCHEMBL12634881 0.83 SCNN1A (0.47) SCNN1ADRD5SCNN1BSCNN1GHRH3
Iodide SCHEMBL2015385 0.83 SCNN1A (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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