SCHEMBL4749985

SCHEMBL4749985

CCCCOc1ccc(C(=O)N[C@@H]2COc3cccc(NC4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.74
KCNH2 Q12809 4/20 0.74
SCN5A Q14524 3/20 0.54
CYSLTR2 Q9NS75 7/20 0.49
CYSLTR1 Q9Y271 7/20 0.49
GAA P10253 1/20 0.46
SLC6A5 Q9Y345 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL4749736 0.87 SCN9A (0.73) SCN9AKCNH2SCN5ACYSLTR2CYSLTR1
SCHEMBL4830466 0.85 SCN9A (1.00) SCN9AKCNH2SCN5ACYSLTR2CYSLTR1
SCHEMBL4830475 0.85 SCN9A (1.00) SCN9AKCNH2SCN5ACYSLTR2CYSLTR1
SCHEMBL4834375 0.85 SCN9A (1.00) SCN9AKCNH2SCN5ACYSLTR2CYSLTR1
SCHEMBL840760 0.77 SCN9A (0.72) SCN9AKCNH2SCN5A
SCHEMBL4788553 0.74 KCNH2 (0.55) SCN9AKCNH2GAATAOK3
SCHEMBL7020281 0.74 KCNH2 (0.56) SCN9AKCNH2GAASLC6A5TAOK3
SCHEMBL7020283 0.74 KCNH2 (0.56) SCN9AKCNH2GAASLC6A5TAOK3
SCHEMBL4747089 0.73 SCN9A (0.73) SCN9AKCNH2SCN5ASLC6A5
SCHEMBL7020765 0.73 KCNH2 (0.72) SCN9AKCNH2SCN5AGAATAOK3

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
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed