SCHEMBL5336199

SCHEMBL5336199

CN1CCN(Cc2c(CS(=O)(=O)c3ccccc3Br)[nH]c3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.50
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
POLB P06746 1/20 0.42
CHRNA7 P36544 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR2A P28223 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5328871 0.91 DRD2 (0.47) HTR6DRD2DRD4DRD3CYP3A4
SCHEMBL5329261 0.86 HTR6 (0.49) HTR6DRD2DRD4DRD3CYP3A4
SCHEMBL5335447 0.85 DRD2 (0.50) HTR6DRD2DRD4DRD3CYP3A4
SCHEMBL5335619 0.82 MAPT (0.45) HTR6DRD2DRD4DRD3POLB
SCHEMBL5333246 0.78 POLB (0.45) HTR6DRD2DRD4DRD3CYP3A4
SCHEMBL5337329 0.77 DRD2 (0.44) HTR6DRD2DRD4DRD3POLB
SCHEMBL5333140 0.74 HTR6 (0.48) HTR6POLB
SCHEMBL5333028 0.74 MPO (0.47) HTR6DRD2DRD4DRD3CYP3A4
SCHEMBL5333822 0.73 MAPT (0.45) HTR6DRD2DRD4DRD3CHRNA7
SCHEMBL5336272 0.73 HSD17B10 (0.45) HTR6POLB

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-2007046112-A1 ARYLTHIOETHER TRYPTAMINE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES INC. (IN) 2007-04-26 WO claimed
WO-2007046112-A1 ARYLTHIOETHER TRYPTAMINE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES INC. (IN) 2007-04-26 WO disclosed