SCHEMBL4749709

SCHEMBL4749709

O=C(N[C@@H]1COc2cccc(OS(=O)(=O)c3cccnc3)c2C1)c1ccc(OCCC(F)(F)F)nc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.65
SCN5A Q14524 18/20 0.65
KCNH2 Q12809 14/20 0.65
SLC6A3 Q01959 1/20 0.51
GHSR Q92847 1/20 0.51
CNR1 P21554 1/20 0.45

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
SCHEMBL4750961 1.00 SCN9A (0.65) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL840729 0.84 SCN9A (0.87) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL4786719 0.84 SCN9A (0.65) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL4786727 0.84 SCN9A (0.65) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL4750448 0.83 SCN9A (0.51) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL4750450 0.83 SCN9A (0.51) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL4747616 0.83 SCN9A (0.60) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL4747615 0.83 SCN9A (0.60) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL839737 0.81 SCN9A (0.85) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL841352 0.79 SCN9A (0.75) SCN9ASCN5AKCNH2SLC6A3GHSR

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