SCHEMBL14435381

SCHEMBL14435381

OCNc1cccc(N(c2ccccc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
SLC6A3 Q01959 2/20 0.37
CFTR P13569 2/20 0.37
GOPC Q9HD26 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNA5 P22460 4/20 0.36
KCNH2 Q12809 2/20 0.35
GRK6 P43250 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGER2 P43116 3/20 0.34
CYP2D6 P10635 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGB6 P18564 1/20 0.34
TBXAS1 P24557 1/20 0.33
GRM2 Q14416 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
SCHEMBL14435382 0.90 KCNA5 (0.39) SMN1; SMN2SLC6A3KCNA5PTGER2
SCHEMBL4461864 0.83 SMN1; SMN2 (0.38) SMN1; SMN2SLC6A3CFTRGOPCSLC6A2
SCHEMBL14435380 0.83 ROCK2 (0.36) SLC6A3KCNA5KDM4ECYP2D6
SCHEMBL4453045 0.81 NR3C2 (0.39) SMN1; SMN2SLC6A3CFTRGOPCSLC6A2
SCHEMBL13971398 0.80 SMN1; SMN2 (0.38) SMN1; SMN2SLC6A3CFTRGOPCSLC6A2
SCHEMBL4466427 0.79 KCNA5 (0.51) SLC6A3CFTRGOPCSLC6A2SLC6A4
SCHEMBL4468137 0.79 GAA (0.36) SMN1; SMN2SLC6A3CFTRGOPCSLC6A2
SCHEMBL14435433 0.77 CFTR (0.42) SMN1; SMN2SLC6A3CFTRGOPCSLC6A2
SCHEMBL13957483 0.77 CFTR (0.42) SMN1; SMN2SLC6A3CFTRGOPCSLC6A2
SCHEMBL4462104 0.77 CFTR (0.42) SMN1; SMN2SLC6A3CFTRGOPCSLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed