SCHEMBL884595

SCHEMBL884595

Fc1ccc(C(Cc2cccnc2)c2cccnc2)c(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 17/20 0.45
KCNH2 Q12809 8/20 0.45
KCND3 Q9UK17 1/20 0.42
ALDH1A1 P00352 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GRM2 Q14416 1/20 0.36

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
SCHEMBL5030913 0.91 KCNA5 (0.51) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL5032466 0.91 KCNA5 (0.45) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL884569 0.89 KCNA5 (0.51) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL5038360 0.89 KCNA5 (0.48) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL5033715 0.87 KCNA5 (0.50) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL884639 0.84 KCNA5 (0.45) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL885069 0.83 KCNA5 (0.56) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL884449 0.83 KCNA5 (0.44) KCNA5KCNH2ALDH1A1GRM2
SCHEMBL884457 0.83 KCNA5 (0.51) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL885203 0.82 KCNA5 (0.42) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2

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-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed