SCHEMBL16682199

SCHEMBL16682199

N#Cc1ccc(CC(=O)N2CCN(CCc3ccc4c(c3)CCOC4=O)CC2)cc1O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 19/20 0.62
KCNH2 Q12809 16/20 0.62
SLC6A4 P31645 1/20 0.52

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
SCHEMBL4549694 0.88 KCNJ1 (0.69) KCNJ1KCNH2
SCHEMBL10286960 0.84 KCNJ1 (0.58) KCNJ1KCNH2SLC6A4
SCHEMBL10233964 0.82 KCNJ1 (0.77) KCNJ1KCNH2
SCHEMBL15196738 0.82 KCNJ1 (0.56) KCNJ1KCNH2
SCHEMBL4549652 0.81 KCNJ1 (0.65) KCNJ1KCNH2
SCHEMBL4549530 0.81 KCNJ1 (0.82) KCNJ1KCNH2SLC6A4
SCHEMBL4549662 0.81 KCNJ1 (0.68) KCNJ1KCNH2SLC6A4
SCHEMBL4549534 0.80 KCNJ1 (0.58) KCNJ1KCNH2
SCHEMBL4549529 0.80 KCNJ1 (0.70) KCNJ1KCNH2SLC6A4
SCHEMBL4549660 0.79 KCNJ1 (0.83) KCNJ1KCNH2

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