SCHEMBL299003

SCHEMBL299003

Cc1c(CCN2CCN(C(=O)O)CC2)ccc2c1COC2=O

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 12/20 0.81
KCNH2 Q12809 12/20 0.81

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
SCHEMBL10234057 0.90 KCNJ1 (1.00) KCNJ1KCNH2
Trifluoroacetic Acid SCHEMBL17360760 0.87 KCNJ1 (0.80) KCNJ1KCNH2
SCHEMBL2730746 0.85 KCNH2 (0.71) KCNJ1KCNH2
SCHEMBL16685019 0.84 KCNJ1 (0.74) KCNJ1KCNH2
SCHEMBL14782785 0.83 KCNJ1 (0.85) KCNJ1KCNH2
SCHEMBL2730748 0.82 KCNJ1 (0.64) KCNJ1KCNH2
SCHEMBL15210266 0.82 KCNJ1 (0.83) KCNJ1KCNH2
SCHEMBL15953883 0.82 KCNJ1 (0.71) KCNJ1KCNH2
SCHEMBL296919 0.82 KCNJ1 (0.83) KCNJ1KCNH2
Hydrochloric Acid SCHEMBL2731434 0.81 KCNJ1 (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed