SCHEMBL886777

SCHEMBL886777

FC1CCN(c2ncccc2CC(c2cccnc2)c2cccnc2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.45
KCNH2 Q12809 6/20 0.45
PDE10A Q9Y233 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
GRM4 Q14833 2/20 0.35
METAP2 P50579 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
SCHEMBL884542 1.00 KCNA5 (0.45) KCNA5KCNH2PDE10ASLC6A2SLC6A4
SCHEMBL2063860 1.00 KCNA5 (0.45) KCNA5KCNH2PDE10ASLC6A2SLC6A4
SCHEMBL884679 0.94 KCNA5 (0.43) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884941 0.84 KCNA5 (0.46) KCNA5KCNH2PDE10A
SCHEMBL884458 0.84 KCNA5 (0.45) KCNA5KCNH2PDE10ASLC6A2SLC6A4
SCHEMBL886764 0.84 KCNA5 (0.45) KCNA5KCNH2PDE10ASLC6A2SLC6A4
SCHEMBL884946 0.83 KCNA5 (0.41) KCNA5KCNH2PDE10ASLC6A2SLC6A4
SCHEMBL884635 0.83 KCNA5 (0.51) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884666 0.82 KCNA5 (0.50) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884510 0.80 KCNA5 (0.48) KCNA5KCNH2SLC6A2SLC6A4SLC6A3

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