SCHEMBL15036853

SCHEMBL15036853

N#Cc1c(F)ccc([C@@H]2CNCCN(C(=O)Cc3ccc(-n4cnnn4)nc3)CCCO2)c1F

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.58
KCNH2 Q12809 8/20 0.58

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
SCHEMBL15036643 0.85 KCNJ1 (0.66) KCNJ1KCNH2
SCHEMBL16227561 0.80 KCNJ1 (0.88) KCNJ1KCNH2
SCHEMBL16227714 0.80 KCNJ1 (0.88) KCNJ1KCNH2
SCHEMBL16227525 0.80 KCNJ1 (0.88) KCNJ1KCNH2
SCHEMBL16227668 0.80 KCNJ1 (0.88) KCNJ1KCNH2
SCHEMBL15036773 0.79 KCNJ1 (0.70) KCNJ1KCNH2
SCHEMBL4549585 0.78 KCNJ1 (0.60) KCNJ1KCNH2
SCHEMBL15036965 0.77 KCNJ1 (0.54) KCNJ1KCNH2
SCHEMBL15036645 0.77 KCNJ1 (0.66) KCNJ1KCNH2
SCHEMBL15036650 0.77 KCNJ1 (0.66) 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
WO-2013090271-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-06-20 WO disclosed