SCHEMBL16682186

SCHEMBL16682186

CN(CC1CCCN1CCc1ccc2nonc2c1)C(=O)Cc1ccc(-n2cnnn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.59
KCNJ1 P48048 9/20 0.59
GPR119 Q8TDV5 10/20 0.43
SLC6A4 P31645 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
SCHEMBL16682188 0.78 KCNJ1 (0.72) KCNH2KCNJ1SLC6A4
SCHEMBL15196838 0.76 KCNJ1 (0.74) KCNH2KCNJ1SLC6A4
SCHEMBL2731436 0.74 KCNJ1 (1.00) KCNH2KCNJ1SLC6A4
SCHEMBL4549644 0.74 KCNJ1 (0.72) KCNH2KCNJ1SLC6A4
SCHEMBL4549631 0.73 KCNJ1 (0.72) KCNH2KCNJ1SLC6A4
SCHEMBL4549629 0.73 KCNJ1 (0.72) KCNH2KCNJ1SLC6A4
SCHEMBL4549645 0.73 KCNJ1 (0.71) KCNH2KCNJ1SLC6A4
SCHEMBL15191673 0.71 KCNJ1 (0.91) KCNH2KCNJ1SLC6A4
SCHEMBL14785921 0.69 KCNH2 (0.73) KCNH2KCNJ1SLC6A4
SCHEMBL16682185 0.68 KCNH2 (0.79) 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