SCHEMBL299891

SCHEMBL299891

Cc1c(C(CC(C)(S(C)(=O)=O)S(C)(=O)=O)C(=O)O)ccc2c1COC2=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.48
KCNH2 Q12809 6/20 0.48
ACHE P22303 1/20 0.48
SSTR1 P30872 1/20 0.48
SLC6A4 P31645 1/20 0.48

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
SCHEMBL2734302 0.87 KCNJ1 (0.53) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL286712 0.76 KCNJ1 (0.53) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL2722788 0.75 KCNJ1 (0.58) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL299890 0.74 KCNJ1 (0.46) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20168206 0.72 KCNJ1 (0.49) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20168208 0.72 KCNJ1 (0.49) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20168161 0.72 KCNJ1 (0.51) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL20168159 0.72 KCNJ1 (0.51) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL21266072 0.72 KCNJ1 (0.44) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL21265970 0.70 KCNJ1 (0.53) KCNJ1KCNH2ACHESSTR1SLC6A4

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