SCHEMBL5333822

SCHEMBL5333822

CCN1CCN(Cc2c(CS(=O)(=O)c3ccc(Cl)cc3)[nH]c3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
CHRNA7 P36544 1/20 0.41
HTR6 P50406 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.38
DDR1 Q08345 1/20 0.38
KMT2A Q03164 3/20 0.38
CHIA Q9BZP6 1/20 0.38
MEN1 O00255 1/20 0.37
CYP19A1 P11511 1/20 0.37
TP53 P04637 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
SCHEMBL5335619 0.92 MAPT (0.45) MAPTDRD2DRD4DRD3CHRNA7
SCHEMBL5331060 0.89 ALDH1A1 (0.46) MAPTHTR6SMN1; SMN2PTGS2DDR1
SCHEMBL5337329 0.89 DRD2 (0.44) MAPTDRD2DRD4DRD3CHRNA7
SCHEMBL5335240 0.88 ALDH1A1 (0.44) MAPTDRD2DRD4DRD3HTR6
SCHEMBL5332522 0.86 HSD17B10 (0.42) MAPTHTR6SMN1; SMN2DDR1KMT2A
SCHEMBL5333018 0.84 DDR1 (0.43) HTR6DDR1KMT2AMEN1
SCHEMBL5335447 0.82 DRD2 (0.50) MAPTDRD2DRD4DRD3CHRNA7
SCHEMBL5328871 0.82 DRD2 (0.47) MAPTDRD2DRD4DRD3CHRNA7
SCHEMBL5329261 0.81 HTR6 (0.49) MAPTDRD2DRD4DRD3CHRNA7
SCHEMBL5328593 0.81 ALDH1A1 (0.46) HTR6DDR1KMT2AMEN1

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