SCHEMBL286508

SCHEMBL286508

CC(C)(C)[N+]1(C(=O)[O-])CCN(CCc2ccc3c(c2)COC3=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.64
KCNH2 Q12809 16/20 0.64
SLC6A4 P31645 1/20 0.47

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
SCHEMBL10233877 0.80 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL286510 0.76 KCNJ1 (0.69) KCNJ1KCNH2SLC6A4
SCHEMBL18043559 0.75 KCNJ1 (0.63) KCNJ1KCNH2SLC6A4
SCHEMBL286379 0.74 KCNJ1 (0.82) KCNJ1KCNH2SLC6A4
SCHEMBL4549624 0.74 KCNJ1 (0.79) KCNJ1KCNH2SLC6A4
SCHEMBL16686855 0.74 KCNJ1 (0.73) KCNJ1KCNH2SLC6A4
Hydrochloric Acid SCHEMBL298344 0.73 KCNJ1 (0.80) KCNJ1KCNH2SLC6A4
SCHEMBL15196791 0.73 KCNJ1 (0.67) KCNJ1KCNH2SLC6A4
SCHEMBL2731587 0.72 KCNJ1 (0.61) KCNJ1KCNH2SLC6A4
SCHEMBL2731746 0.72 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
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