SCHEMBL5671579

SCHEMBL5671579

NCCOc1ccc(CCCCN=C(N)NC(=O)c2nc(Cl)c(N)nc2N)cc1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 20/20 0.86

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
Hydrochloric Acid SCHEMBL1961465 0.89 SCNN1A (0.79) SCNN1A
SCHEMBL916744 0.86 SCNN1A (0.76) SCNN1A
552-02 Free Base SCHEMBL2015164 0.86 SCNN1A (1.00) SCNN1A
Hydrochloric Acid SCHEMBL915539 0.85 SCNN1A (0.73) SCNN1A
SCHEMBL19366158 0.84 SCNN1A (0.72) SCNN1A
SCHEMBL916348 0.83 SCNN1A (0.94) SCNN1A
Hydrochloric Acid SCHEMBL937636 0.82 SCNN1A (0.79) SCNN1A
SCHEMBL2328611 0.81 SCNN1A (0.59) SCNN1A
SCHEMBL937541 0.81 SCNN1A (0.74) SCNN1A
SCHEMBL2328617 0.80 SCNN1A (0.56) SCNN1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485360-A4 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-07-05 EP disclosed
EP-1485360-A2 SODIUM CHANNEL BLOCKERS Johnson, Michael R. (US) 2004-12-15 EP disclosed
WO-2003070182-A2 SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2003-08-28 WO disclosed