SCHEMBL31098409

SCHEMBL31098409

COc1ccc(-c2ncc3c(n2)CCN(CCc2ccc4c(c2C)COC4=O)C3)cc1C#N

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 19/20 0.70
▸ KCNH2 Q12809 8/20 0.60

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
SCHEMBL16853003 1.00 KCNJ1 (0.70) KCNJ1KCNH2
SCHEMBL16853050 0.96 KCNJ1 (0.70) KCNJ1KCNH2
SCHEMBL18156856 0.94 KCNJ1 (0.63) KCNJ1KCNH2
SCHEMBL18156876 0.91 KCNJ1 (0.63) KCNJ1KCNH2
SCHEMBL16852992 0.90 KCNJ1 (0.73) KCNJ1KCNH2
SCHEMBL16853002 0.90 KCNJ1 (0.72) KCNJ1KCNH2
SCHEMBL16852987 0.87 KCNJ1 (0.83) KCNJ1KCNH2
SCHEMBL20272481 0.86 KCNJ1 (0.60) KCNJ1KCNH2
SCHEMBL31098408 0.86 KCNJ1 (0.71) KCNJ1KCNH2
SCHEMBL16853049 0.86 KCNJ1 (0.71) 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-3083573-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC (US) 2024-08-07 — — EP disclosed
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