SCHEMBL21311682

SCHEMBL21311682

CN(C)C1CCCC(c2cc(F)cc(Cl)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.36
HTR2A P28223 5/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR1B P28222 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SCN9A Q15858 1/20 0.35
NPY5R Q15761 2/20 0.33
RIPK1 Q13546 1/20 0.32
HTR2C P28335 4/20 0.32
HTR2B P41595 4/20 0.32
HRH3 Q9Y5N1 4/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32

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
SCHEMBL20095511 0.89 SLC6A4 (0.40) SLC6A4HTR2AHTR1ADRD1SLC6A2
SCHEMBL20096214 0.89 SLC6A4 (0.40) SLC6A4HTR2AHTR1ADRD1SLC6A2
SCHEMBL23639043 0.82 SCN9A (0.38) SLC6A4HTR2AHTR1ASCN9AHTR2C
SCHEMBL21312030 0.82 SCN9A (0.38) SLC6A4HTR2AHTR1ASCN9AHTR2C
SCHEMBL15517235 0.82 GRM4 (0.36) NPY5RRIPK1TAS1R3TAS1R1TAS1R2
SCHEMBL21311815 0.81 SCN9A (0.36) SLC6A4HTR2AHTR1ADRD1SLC6A2
SCHEMBL20095514 0.77 HTR2A (0.50) SLC6A4HTR2AHTR1ASLC6A2SLC6A3
SCHEMBL20095714 0.77 HTR2A (0.50) SLC6A4HTR2AHTR1ASLC6A2SLC6A3
SCHEMBL15516297 0.74 TRPM5 (0.38) NPY5RRIPK1TAS1R3TAS1R1TAS1R2
SCHEMBL21311629 0.73 HTR1A (0.38) SLC6A4HTR2AHTR1ASCN9AHTR2C

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-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed