SCHEMBL5328871

SCHEMBL5328871

CCN1CCN(Cc2c(CS(=O)(=O)c3ccccc3Br)[nH]c3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
HTR6 P50406 8/20 0.43
CHRM1 P11229 1/20 0.43
CHRNA7 P36544 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
DDR1 Q08345 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
CHIA Q9BZP6 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5336199 0.91 HTR6 (0.50) DRD2DRD4DRD3HTR6CHRNA7
SCHEMBL5337329 0.86 DRD2 (0.44) DRD2DRD4DRD3HTR6CHRNA7
SCHEMBL5333822 0.82 MAPT (0.45) DRD2DRD4DRD3HTR6CHRNA7
SCHEMBL5334580 0.78 ALDH1A1 (0.44) DRD2DRD4DRD3HTR6SMN1; SMN2
SCHEMBL5329261 0.77 HTR6 (0.49) DRD2DRD4DRD3HTR6CHRNA7
SCHEMBL5335447 0.76 DRD2 (0.50) DRD2DRD4DRD3HTR6CHRNA7
SCHEMBL5335240 0.74 ALDH1A1 (0.44) DRD2DRD4DRD3HTR6DDR1
SCHEMBL5335619 0.73 MAPT (0.45) DRD2DRD4DRD3HTR6CHRNA7
SCHEMBL5333018 0.72 DDR1 (0.43) HTR6DDR1KMT2AMEN1KDM4E
SCHEMBL5330544 0.72 HTR6 (0.43) DRD2DRD4DRD3HTR6SMN1; SMN2

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