SCHEMBL15036766

SCHEMBL15036766

Cc1c(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)C[C@@H]2CO)ccc2c1COC2=O

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.77
KCNJ1 P48048 13/20 0.77

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
SCHEMBL4549272 0.87 KCNH2 (1.00) KCNH2KCNJ1
SCHEMBL15036947 0.81 KCNJ1 (0.64) KCNH2KCNJ1
SCHEMBL10233973 0.79 KCNH2 (0.82) KCNH2KCNJ1
SCHEMBL16227952 0.79 KCNJ1 (1.00) KCNH2KCNJ1
SCHEMBL16227351 0.79 KCNJ1 (1.00) KCNH2KCNJ1
SCHEMBL16227783 0.79 KCNJ1 (1.00) KCNH2KCNJ1
SCHEMBL15036771 0.79 KCNJ1 (1.00) KCNH2KCNJ1
SCHEMBL15036945 0.78 KCNJ1 (1.00) KCNH2KCNJ1
SCHEMBL15196874 0.78 KCNH2 (0.79) KCNH2KCNJ1
SCHEMBL4549341 0.77 KCNH2 (1.00) KCNH2KCNJ1

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