SCHEMBL1136823

SCHEMBL1136823

Nc1nc(N)c(C(=O)NC(=NC(=O)OCc2ccccc2)NC2CCNCC2)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 12/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
GLA P06280 2/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
NFKB1 P19838 2/20 0.48
THPO P40225 2/20 0.48
HIF1A Q16665 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
FTO Q9C0B1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GMNN O75496 2/20 0.47
PMP22 Q01453 2/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1136991 0.88 SCNN1A (0.46) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1136994 0.88 SCNN1A (0.46) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13398009 0.84 SCNN1A (0.43) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1136878 0.83 L3MBTL1 (0.49) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1136879 0.83 L3MBTL1 (0.49) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3155710 0.82 SCNN1A (0.43) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3155690 0.82 SCNN1A (0.43) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13166350 0.79 SCNN1A (0.52) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13166347 0.75 SCNN1A (0.46) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13166352 0.75 SCNN1A (0.47) SCNN1AALDH1A1KDM4EHPGDHSD17B10

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
EP-2332933-A1 Epithelial sodium channel (ENaC) inhibitors Novartis AG (CH) 2011-06-15 EP disclosed
EP-2155721-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-23 EP disclosed