SCHEMBL12195877

SCHEMBL12195877

O[C@H](c1cccnc1-c1cc(Cl)cc(Cl)c1)[C@H](c1cccnc1)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 15/20 0.69
KCND3 Q9UK17 1/20 0.69
KCNH2 Q12809 3/20 0.41
KCNN4 O15554 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A5 P20815 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX12 P18054 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL2476259 0.99 KCNA5 (0.70) KCNA5KCND3KCNH2KCNN4CYP3A4
SCHEMBL2493519 0.99 KCNA5 (0.70) KCNA5KCND3KCNH2KCNN4CYP3A4
SCHEMBL2472879 0.99 KCNA5 (0.70) KCNA5KCND3KCNH2KCNN4CYP3A4
SCHEMBL2493518 0.99 KCNA5 (0.70) KCNA5KCND3KCNH2KCNN4CYP3A4
SCHEMBL12194982 0.97 KCNA5 (0.70) KCNA5KCND3KCNH2CYP3A4CYP3A5
SCHEMBL12052091 0.93 KCNA5 (0.60) KCNA5KCND3KCNH2KCNN4CYP3A4
SCHEMBL12052093 0.92 KCNA5 (0.61) KCNA5KCND3KCNH2KCNN4CYP3A4
SCHEMBL12052105 0.90 KCNA5 (0.61) KCNA5KCND3KCNH2KCNN4CYP3A4
SCHEMBL2493621 0.90 KCNA5 (0.66) KCNA5KCND3KCNH2KDM4EALDH1A1
SCHEMBL12195879 0.90 KCNA5 (0.66) KCNA5KCND3KCNH2KDM4EALDH1A1

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-1994029-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
WO-2007089678-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed