SCHEMBL20683787

SCHEMBL20683787

COc1ccc(CCC[N+](C)(CCCc2ccc(OC)cc2)CC(CC(=O)NCC[N+](C)(C)C)NC(=O)c2nc(Cl)c(N)nc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCNN1A P37088 11/20 0.50
▸ KCNH2 Q12809 2/20 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
SCHEMBL16443691 0.89 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL16453284 0.89 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL20683800 0.89 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL16443693 0.89 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL16443694 0.89 SCNN1A (0.54) SCNN1AKCNH2
Hydrochloric Acid SCHEMBL16443779 0.88 SCNN1A (0.54) SCNN1AKCNH2
Hydrochloric Acid SCHEMBL16443778 0.88 SCNN1A (0.54) SCNN1AKCNH2
Hydrochloric Acid SCHEMBL16443777 0.88 SCNN1A (0.54) SCNN1AKCNH2
SCHEMBL16453195 0.88 SCNN1A (0.49) SCNN1AKCNH2
SCHEMBL20683754 0.83 SCNN1A (0.58) 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
EP-3030555-B1 NOVEL PYRAZINE AMIDE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2019-01-30 — — EP disclosed
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