SCHEMBL4747610

SCHEMBL4747610

O=C(N[C@@H]1COc2cccc(CN3CCCC3)c2C1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.52
SCN5A Q14524 14/20 0.52
KCNH2 Q12809 13/20 0.52
CHRM4 P08173 2/20 0.43
SLC6A3 Q01959 1/20 0.40
GHSR Q92847 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL4750039 0.89 SCN9A (0.66) SCN9ASCN5AKCNH2CHRM4SLC6A3
SCHEMBL4750025 0.88 SCN9A (0.65) SCN9ASCN5AKCNH2CHRM4SLC6A3
SCHEMBL4750963 0.83 SCN9A (0.51) SCN9ASCN5AKCNH2CHRM4
SCHEMBL4866628 0.81 DRD2 (0.50) SCN9ASCN5AKCNH2
SCHEMBL4866636 0.81 DRD2 (0.50) SCN9ASCN5AKCNH2
SCHEMBL4751189 0.80 SCN9A (0.79) SCN9ASCN5AKCNH2
SCHEMBL4749667 0.78 SCN9A (0.42) SCN9ASCN5AKCNH2
SCHEMBL4749784 0.77 SCN9A (0.41) SCN9ASCN5AKCNH2
SCHEMBL4750932 0.77 SCN9A (0.50) SCN9ASCN5AKCNH2SLC6A3GHSR
SCHEMBL4750460 0.75 SCN9A (0.65) 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