SCHEMBL21311657

SCHEMBL21311657

CN(C)C1CCCC(c2cccc(Br)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.50
HTR2C P28335 5/20 0.50
HTR2B P41595 5/20 0.50
HRH3 Q9Y5N1 5/20 0.50
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
DRD3 P35462 1/20 0.48
KDM1A O60341 3/20 0.44
SLC6A4 P31645 4/20 0.43
MGLL Q99685 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36

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
SCHEMBL20095848 0.87 MGLL (0.42) HTR2CSLC6A4MGLLSIGMAR1
SCHEMBL20095849 0.87 MGLL (0.42) HTR2CSLC6A4MGLLSIGMAR1
SCHEMBL20096106 0.87 MGLL (0.42) HTR2CSLC6A4MGLLSIGMAR1
SCHEMBL21311628 0.83 HTR2C (0.50) HTR2AHTR2CHTR2BDRD2DRD1
SCHEMBL21311808 0.83 HTR2C (0.50) HTR2AHTR2CHTR2BDRD2DRD1
SCHEMBL21312221 0.81 MGLL (0.39) HTR2AHTR2CHTR2BHRH3SLC6A4
SCHEMBL20095514 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BHRH3SLC6A4
SCHEMBL20095714 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BHRH3SLC6A4
SCHEMBL3976082 0.81 DRD2 (0.55) HTR2AHTR2CHTR2BHRH3DRD2
SCHEMBL30169622 0.81 DRD2 (0.55) HTR2AHTR2CHTR2BHRH3DRD2

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