SCHEMBL20683833

SCHEMBL20683833

CCCC(CN(C)C(CCc1ccc(OC)cc1)CCc1ccc(OC)cc1)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCNN1A P37088 11/20 0.51
▸ TAS1R3 Q7RTX0 2/20 0.45
▸ TAS1R1 Q7RTX1 2/20 0.45
▸ CTSA P10619 1/20 0.40

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
SCHEMBL2074093 0.77 SCNN1A (0.56) SCNN1A
SCHEMBL16453280 0.76 SCNN1A (0.55) SCNN1A
Hydrochloric Acid SCHEMBL1134530 0.76 SCNN1A (0.55) SCNN1A
Hydrochloric Acid SCHEMBL1134670 0.76 SCNN1A (0.55) SCNN1A
SCHEMBL16453144 0.76 SCNN1A (0.55) SCNN1ACTSA
SCHEMBL20683744 0.75 SCNN1A (0.42) SCNN1A
SCHEMBL12779712 0.75 SCNN1A (0.52) SCNN1A
SCHEMBL20683828 0.75 KCNH2 (0.50) SCNN1ACTSA
SCHEMBL1134593 0.75 SCNN1A (0.70) SCNN1A
SCHEMBL12087448 0.74 SCNN1A (0.47) SCNN1ATAS1R3TAS1R1

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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