SCHEMBL297201

SCHEMBL297201

COc1ccnc(C(O)CN2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)c1C#N

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.70
KCNH2 Q12809 14/20 0.70
ACHE P22303 1/20 0.63
SSTR1 P30872 1/20 0.63
SLC6A4 P31645 1/20 0.63

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
SCHEMBL2896906 0.82 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL2890912 0.82 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL2890914 0.82 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL2896910 0.82 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL2899808 0.82 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL2891316 0.81 KCNJ1 (0.82) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL296663 0.81 KCNJ1 (0.76) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL286946 0.80 KCNJ1 (1.00) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL298643 0.80 KCNJ1 (0.80) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL286786 0.80 KCNJ1 (0.80) 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 claimed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO claimed