SCHEMBL15036643

SCHEMBL15036643

Cc1c([C@@H]2CNCCN(C(=O)Cc3cnc(-n4cnnn4)nc3)CCCO2)ccc(F)c1C#N

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 20/20 0.66
KCNH2 Q12809 8/20 0.66
SSTR2 P30874 1/20 0.51

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
SCHEMBL15036965 0.90 KCNJ1 (0.54) KCNJ1KCNH2
SCHEMBL15036650 0.89 KCNJ1 (0.66) KCNJ1KCNH2
SCHEMBL15036645 0.89 KCNJ1 (0.66) KCNJ1KCNH2
SCHEMBL15036853 0.85 KCNJ1 (0.58) KCNJ1KCNH2
SCHEMBL15036646 0.82 KCNJ1 (0.69) KCNJ1KCNH2
SCHEMBL15036644 0.82 KCNJ1 (0.69) KCNJ1KCNH2
SCHEMBL15036958 0.81 KCNJ1 (0.87) KCNJ1KCNH2SSTR2
SCHEMBL16227698 0.81 KCNJ1 (0.87) KCNJ1KCNH2SSTR2
SCHEMBL15036815 0.79 KCNJ1 (1.00) KCNJ1KCNH2SSTR2
SCHEMBL15036851 0.79 KCNJ1 (1.00) KCNJ1KCNH2SSTR2

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