SCHEMBL13076006

SCHEMBL13076006

Cc1c(CCN2CCN(CC(O)c3ccc(C#N)cn3)CC2)ccc2c1COC2=O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.78
KCNH2 Q12809 6/20 0.78

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
SCHEMBL2895035 0.88 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL2898529 0.88 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL2899013 0.88 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL287029 0.88 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL2899007 0.88 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL2895030 0.88 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL13076779 0.87 KCNJ1 (0.82) KCNJ1KCNH2
SCHEMBL19264195 0.86 KCNJ1 (0.78) KCNJ1KCNH2
SCHEMBL19881384 0.85 KCNJ1 (0.80) KCNJ1KCNH2
SCHEMBL13076743 0.85 KCNJ1 (1.00) 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