SCHEMBL4747544

SCHEMBL4747544

CN1CCN(Cc2cccc3c2C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)CO3)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.49
KCNH2 Q12809 6/20 0.49
SCN5A Q14524 5/20 0.49
KIT P10721 3/20 0.41
DRD4 P21917 2/20 0.39
SLC6A9 P48067 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
BRAF P15056 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
SCHEMBL4749667 0.92 SCN9A (0.42) SCN9AKCNH2SCN5ADRD4UBE2M
SCHEMBL4749784 0.92 SCN9A (0.41) SCN9AKCNH2SCN5ADRD4UBE2M
SCHEMBL4830469 0.86 SCN9A (0.66) SCN9AKCNH2SCN5ASLC6A9DRD2
SCHEMBL4830463 0.86 SCN9A (0.66) SCN9AKCNH2SCN5ASLC6A9DRD2
SCHEMBL4841770 0.74 SCN9A (0.80) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4830458 0.74 SCN9A (0.80) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4830465 0.74 SCN9A (0.80) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4750039 0.72 SCN9A (0.66) SCN9AKCNH2SCN5ADRD4HTR2A
SCHEMBL4750025 0.72 SCN9A (0.65) SCN9AKCNH2SCN5ADRD4HTR2A
SCHEMBL4749771 0.71 ACACB (0.39) SCN9AKCNH2SCN5ADRD2KDM4E

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