SCHEMBL885040

SCHEMBL885040

Nc1ccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 16/20 0.46
KCNH2 Q12809 6/20 0.46
CFTR P13569 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GOPC Q9HD26 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL884632 0.86 KCNA5 (0.49) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL884819 0.85 KCNA5 (0.53) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL884584 0.83 KCNA5 (0.49) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL884563 0.82 KCNA5 (0.51) KCNA5KCNH2GRM5
SCHEMBL884975 0.82 KCNA5 (0.52) KCNA5KCNH2CFTRGOPC
SCHEMBL884875 0.82 KCNA5 (0.56) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL884464 0.81 KCNA5 (0.56) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL2062493 0.80 KCNA5 (0.50) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL2062733 0.78 KCNA5 (0.54) KCNA5KCNH2
SCHEMBL885036 0.78 KCNA5 (0.48) KCNA5KCNH2

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 4 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
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed