SCHEMBL13573302

SCHEMBL13573302

CCC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)CCCc1ccc(OCC(O)CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCNN1A P37088 15/20 0.58
▸ KCNH2 Q12809 2/20 0.43

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
SCHEMBL11959426 1.00 SCNN1A (0.58) SCNN1AKCNH2
SCHEMBL11959468 0.95 SCNN1A (0.51) SCNN1AKCNH2
Trifluoroacetic Acid SCHEMBL1431125 0.95 SCNN1A (0.53) SCNN1AKCNH2
Trifluoroacetic Acid SCHEMBL2288753 0.95 SCNN1A (0.53) SCNN1AKCNH2
Trifluoroacetic Acid SCHEMBL2288758 0.95 SCNN1A (0.53) SCNN1AKCNH2
SCHEMBL11959424 0.88 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL12379799 0.88 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL11959421 0.85 SCNN1A (0.51) SCNN1AKCNH2
SCHEMBL11959470 0.85 SCNN1A (0.43) SCNN1AKCNH2
SCHEMBL11959475 0.84 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
WO-2009150137-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 — — WO disclosed
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