SCHEMBL4747549

SCHEMBL4747549

CN1CCC(Oc2cccc3c2C[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)CO3)C1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.69
SCN5A Q14524 10/20 0.69
KCNH2 Q12809 9/20 0.69
HTR2A P28223 3/20 0.43
DRD3 P35462 2/20 0.43
DRD4 P21917 1/20 0.41
LIPE Q05469 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
DRD2 P14416 1/20 0.39
UTS2R Q9UKP6 1/20 0.39

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
SCHEMBL4747089 0.96 SCN9A (0.73) SCN9ASCN5AKCNH2HTR2ADRD3
SCHEMBL4842065 0.82 SCN9A (1.00) SCN9ASCN5AKCNH2HTR2ADRD3
SCHEMBL4842078 0.82 SCN9A (1.00) SCN9ASCN5AKCNH2HTR2ADRD3
SCHEMBL4749736 0.82 SCN9A (0.73) SCN9ASCN5AKCNH2
SCHEMBL4788572 0.81 MTNR1A (0.51) SCN9ASCN5AKCNH2HTR2ADRD4
SCHEMBL4746908 0.81 KCNH2 (0.49) SCN9ASCN5AKCNH2HTR2ADRD3
SCHEMBL4749982 0.80 SCN9A (0.77) SCN9ASCN5AKCNH2HTR2ADRD3
SCHEMBL4750039 0.76 SCN9A (0.66) SCN9ASCN5AKCNH2HTR2ADRD3
SCHEMBL4750460 0.76 SCN9A (0.65) SCN9ASCN5AKCNH2HTR2ADRD3
SCHEMBL4750025 0.75 SCN9A (0.65) SCN9ASCN5AKCNH2HTR2ADRD3

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