SCHEMBL5329261

SCHEMBL5329261

CN1CCN(Cc2c(CS(=O)(=O)c3ccc(Br)cc3)[nH]c3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.49
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
POLB P06746 1/20 0.41
CHRNA7 P36544 1/20 0.41
MPO P05164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 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
SCHEMBL5337329 0.92 DRD2 (0.44) HTR6DRD2DRD4DRD3POLB
SCHEMBL5335447 0.91 DRD2 (0.50) HTR6DRD2DRD4DRD3POLB
SCHEMBL5335619 0.89 MAPT (0.45) HTR6DRD2DRD4DRD3POLB
SCHEMBL5333246 0.88 POLB (0.45) HTR6DRD2DRD4DRD3POLB
SCHEMBL5336199 0.86 HTR6 (0.50) HTR6DRD2DRD4DRD3POLB
SCHEMBL5332975 0.86 HTR6 (0.50) HTR6POLBALDH1A1MEN1KMT2A
SCHEMBL5327792 0.86 HTR6 (0.52) HTR6DRD2DRD4DRD3MPO
SCHEMBL5336272 0.85 HSD17B10 (0.45) HTR6POLBALDH1A1KMT2AKDM4E
SCHEMBL5331983 0.84 HTR6 (0.52) HTR6MPOALDH1A1KMT2ACYP3A4
SCHEMBL5335199 0.84 HTR6 (0.46) HTR6POLBALDH1A1MEN1KMT2A

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