SCHEMBL884718

SCHEMBL884718

Cc1cc(F)ccc1-c1cc(F)ccc1C(Cc1cccnc1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.51
ALDH1A1 P00352 1/20 0.49
KCNH2 Q12809 6/20 0.43
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GRM5 P41594 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GRM2 Q14416 1/20 0.36
PDE4A P27815 1/20 0.35
NAMPT P43490 1/20 0.35
GAA P10253 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL884639 0.85 KCNA5 (0.45) KCNA5ALDH1A1KCNH2CYP11B1CYP11B2
SCHEMBL884569 0.85 KCNA5 (0.51) KCNA5ALDH1A1KCNH2CYP11B1CYP11B2
SCHEMBL5038360 0.85 KCNA5 (0.48) KCNA5ALDH1A1KCNH2CYP11B1CYP11B2
SCHEMBL5033715 0.84 KCNA5 (0.50) KCNA5ALDH1A1KCNH2CYP11B1CYP11B2
SCHEMBL884817 0.84 PDE4A (0.46) KCNA5ALDH1A1KCNH2CYP11B1CYP11B2
SCHEMBL884457 0.84 KCNA5 (0.51) KCNA5ALDH1A1KCNH2CYP11B1CYP11B2
SCHEMBL885203 0.83 KCNA5 (0.42) KCNA5ALDH1A1KCNH2CYP11B1CYP11B2
SCHEMBL884449 0.81 KCNA5 (0.44) KCNA5ALDH1A1KCNH2GRM2
SCHEMBL2062680 0.81 KCNA5 (0.60) KCNA5ALDH1A1KCNH2GRM5
SCHEMBL884634 0.81 CYP3A4 (0.45) KCNA5ALDH1A1KCNH2

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