SCHEMBL16682185

SCHEMBL16682185

Cc1cc(-n2cnnn2)ccc1CC(=O)N1CCN(CCc2ccc3nonc3c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 0.79
KCNJ1 P48048 16/20 0.79
SLC6A4 P31645 1/20 0.54

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
SCHEMBL2731436 0.89 KCNJ1 (1.00) KCNH2KCNJ1SLC6A4
SCHEMBL15191673 0.85 KCNJ1 (0.91) KCNH2KCNJ1SLC6A4
SCHEMBL4549576 0.84 KCNH2 (0.81) KCNH2KCNJ1SLC6A4
SCHEMBL15196750 0.82 KCNH2 (1.00) KCNH2KCNJ1SLC6A4
SCHEMBL15196712 0.81 KCNJ1 (0.79) KCNH2KCNJ1SLC6A4
SCHEMBL15196838 0.77 KCNJ1 (0.74) KCNH2KCNJ1SLC6A4
SCHEMBL15196841 0.76 KCNJ1 (0.66) KCNH2KCNJ1SLC6A4
SCHEMBL16682188 0.75 KCNJ1 (0.72) KCNH2KCNJ1SLC6A4
SCHEMBL16682191 0.75 KCNH2 (0.75) KCNH2KCNJ1SLC6A4
SCHEMBL15196767 0.75 KCNJ1 (0.75) KCNH2KCNJ1SLC6A4

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-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed