SCHEMBL11959475

SCHEMBL11959475

CCC(O)COc1ccc(CCC[N+](C)(CCCc2ccc(OCC(O)CO)cc2)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCNN1A P37088 13/20 0.59
▸ KCNH2 Q12809 2/20 0.49

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
SCHEMBL11959420 0.97 SCNN1A (0.62) SCNN1AKCNH2
SCHEMBL12379802 0.94 SCNN1A (0.59) SCNN1AKCNH2
Trifluoroacetic Acid SCHEMBL1434747 0.93 SCNN1A (0.57) SCNN1AKCNH2
SCHEMBL11959422 0.90 SCNN1A (0.62) SCNN1AKCNH2
SCHEMBL11959474 0.90 KCNH2 (0.60) SCNN1AKCNH2
SCHEMBL13573293 0.88 SCNN1A (0.60) SCNN1AKCNH2
SCHEMBL11959456 0.88 KCNH2 (0.58) SCNN1AKCNH2
SCHEMBL11959329 0.88 SCNN1A (0.60) SCNN1AKCNH2
Bromide SCHEMBL2287891 0.87 SCNN1A (0.59) SCNN1AKCNH2
Bromide SCHEMBL1428109 0.87 SCNN1A (0.59) SCNN1AKCNH2

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
US-8236808-B2 Pyrazine derivatives as ENAC blockers NOVARTIS AG (CH) 2012-08-07 — — US disclosed
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