SCHEMBL20873045

SCHEMBL20873045

COc1cc(C(=O)NC2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)ncc1C#N.Cc1c([C@@H]2CO2)ccc2c1COC2=O

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 20/20 0.90
▸ KCNH2 Q12809 8/20 0.90

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
SCHEMBL20873043 1.00 KCNJ1 (0.90) KCNJ1KCNH2
SCHEMBL19457857 0.95 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL19457707 0.95 KCNJ1 (1.00) KCNJ1KCNH2
Tartaric Acid SCHEMBL30378057 0.91 KCNJ1 (0.93) KCNJ1KCNH2
SCHEMBL19457878 0.89 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL19457879 0.89 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL19457703 0.87 KCNJ1 (0.85) KCNJ1KCNH2
SCHEMBL19457859 0.87 KCNJ1 (0.85) KCNJ1KCNH2
SCHEMBL15757970 0.87 KCNJ1 (0.85) KCNJ1KCNH2
SCHEMBL15757966 0.87 KCNJ1 (0.85) 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-3466945-A1 PHARMACEUTICALLY ACCEPTABLE SALT AS RENAL OUTER MEDULLARY POTASSIUM CHANNEL INHIBITOR Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-04-10 — — EP disclosed
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