SCHEMBL4197953

SCHEMBL4197953

Fc1ccc(CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.50
KCNH2 Q12809 7/20 0.50
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
CFTR P13569 1/20 0.47
GOPC Q9HD26 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3282271 0.83 POLB (0.43) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL7428103 0.78 POLB (0.48) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884965 0.78 CYP1A2 (0.56) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL5999435 0.77 POLB (0.50) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL9159585 0.76 CYP19A1 (0.63) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884939 0.76 KCNA5 (0.64) KCNA5KCNH2
SCHEMBL2063360 0.76 KCNA5 (0.71) KCNA5KCNH2
SCHEMBL2063347 0.76 KCNA5 (0.62) KCNA5KCNH2
SCHEMBL884692 0.76 KCNH2 (0.50) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL7289084 0.76 HRH1 (0.52) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP claimed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP claimed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed