SCHEMBL5035484

SCHEMBL5035484

O=C1CNCCN1c1ncccc1CC(c1cccnc1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.43
KCNH2 Q12809 7/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 1/20 0.43
PIM1 P11309 1/20 0.39
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 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
SCHEMBL885030 0.78 KCNA5 (0.45) KCNA5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL884735 0.77 KCNA5 (0.43) KCNA5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL2063804 0.76 KCNA5 (0.47) KCNA5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL884635 0.75 KCNA5 (0.51) KCNA5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL2063582 0.74 KCNA5 (0.45) KCNA5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL884666 0.74 KCNA5 (0.50) KCNA5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL884227 0.73 KCNA5 (0.47) KCNA5KCNH2CYP19A1CYP11B1CYP11B2
SCHEMBL884433 0.73 KCNA5 (0.46) KCNA5KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL885762 0.72 KCNA5 (0.43) KCNA5KCNH2
SCHEMBL884734 0.72 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 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 disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed