SCHEMBL5337329

SCHEMBL5337329

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
CHRNA7 P36544 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR6 P50406 1/20 0.40
APAF1 O14727 1/20 0.39
MITF O75030 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PTGS2 P35354 2/20 0.38
MAPT P10636 3/20 0.38
CHIA Q9BZP6 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
MPI P34949 1/20 0.37
HTT P42858 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
NPC1 O15118 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
SCHEMBL5329261 0.92 HTR6 (0.49) DRD2DRD4DRD3CHRNA7HTR6
SCHEMBL5333822 0.89 MAPT (0.45) DRD2DRD4DRD3CHRNA7SMN1; SMN2
SCHEMBL5334580 0.88 ALDH1A1 (0.44) DRD2DRD4DRD3SMN1; SMN2HTR6
SCHEMBL5328871 0.86 DRD2 (0.47) DRD2DRD4DRD3CHRNA7SMN1; SMN2
SCHEMBL5330544 0.86 HTR6 (0.43) DRD2DRD4DRD3SMN1; SMN2HTR6
SCHEMBL5333018 0.86 DDR1 (0.43) HTR6KMT2AMEN1ALDH1A1KDM4E
SCHEMBL5332522 0.84 HSD17B10 (0.42) SMN1; SMN2HTR6KMT2AMEN1ALDH1A1
SCHEMBL5335447 0.82 DRD2 (0.50) DRD2DRD4DRD3CHRNA7HTR6
SCHEMBL5335619 0.81 MAPT (0.45) DRD2DRD4DRD3CHRNA7HTR6
SCHEMBL5335240 0.79 ALDH1A1 (0.44) DRD2DRD4DRD3HTR6KMT2A

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