SCHEMBL13076005

SCHEMBL13076005

COc1cc(CCN2CCN(CC(OC)c3ccc4c(c3C)COC4=O)CC2)ccc1N

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.79
KCNH2 Q12809 8/20 0.79

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
SCHEMBL13076914 0.93 KCNJ1 (0.80) KCNJ1KCNH2
SCHEMBL13076002 0.91 KCNJ1 (0.79) KCNJ1KCNH2
SCHEMBL2894170 0.88 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL300202 0.81 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL10233606 0.79 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL2897017 0.79 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL287296 0.78 KCNJ1 (0.63) KCNJ1KCNH2
Hydrochloric Acid SCHEMBL2890994 0.77 KCNJ1 (0.62) KCNJ1KCNH2
SCHEMBL286997 0.77 KCNJ1 (0.83) KCNJ1KCNH2
SCHEMBL19367913 0.76 KCNJ1 (0.79) 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
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed