SCHEMBL15036650

SCHEMBL15036650

Cc1c(C#N)cccc1[C@@H]1CNCCN(C(=O)Cc2cnc(-n3cnnn3)nc2)CCCO1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.66
KCNH2 Q12809 5/20 0.55

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
SCHEMBL15036645 1.00 KCNJ1 (0.66) KCNJ1KCNH2
SCHEMBL15036643 0.89 KCNJ1 (0.66) KCNJ1KCNH2
SCHEMBL15036965 0.88 KCNJ1 (0.54) KCNJ1KCNH2
SCHEMBL15036646 0.85 KCNJ1 (0.69) KCNJ1KCNH2
SCHEMBL15036644 0.85 KCNJ1 (0.69) KCNJ1KCNH2
SCHEMBL16227745 0.79 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL16227628 0.79 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL16227490 0.79 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL15036773 0.77 KCNJ1 (0.70) KCNJ1KCNH2
SCHEMBL15036853 0.77 KCNJ1 (0.58) 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