SCHEMBL4749667

SCHEMBL4749667

O=C(N[C@@H]1COc2cccc(CN3CCCC3)c2C1)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.42
KCNH2 Q12809 4/20 0.42
SCN5A Q14524 4/20 0.42
DRD4 P21917 2/20 0.41
ACKR3 P25106 1/20 0.39
DCUN1D1 Q96GG9 4/20 0.39
UBE2M P61081 2/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL4749784 0.99 SCN9A (0.41) SCN9AKCNH2SCN5ADRD4ACKR3
SCHEMBL4747544 0.92 SCN9A (0.49) SCN9AKCNH2SCN5ADRD4DCUN1D1
SCHEMBL4830463 0.80 SCN9A (0.66) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4750039 0.80 SCN9A (0.66) SCN9AKCNH2SCN5ADRD4HTR2A
SCHEMBL4830469 0.80 SCN9A (0.66) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4750025 0.79 SCN9A (0.65) SCN9AKCNH2SCN5ADRD4HTR2A
SCHEMBL4747610 0.78 SCN9A (0.52) SCN9AKCNH2SCN5A
SCHEMBL4866628 0.77 DRD2 (0.50) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4866636 0.77 DRD2 (0.50) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4749771 0.76 ACACB (0.39) SCN9AKCNH2SCN5ADRD2

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