SCHEMBL5332993

SCHEMBL5332993

CCN(CC)CCc1c(CS(=O)(=O)c2ccccc2)[nH]c2ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.45
HTR2A P28223 5/20 0.43
HTR2C P28335 3/20 0.43
HTR1A P08908 1/20 0.40
SLC6A4 P31645 2/20 0.38
PTGS2 P35354 1/20 0.38
DRD2 P14416 2/20 0.38
TERT O14746 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MPI P34949 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HTR6 P50406 3/20 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
Hydrochloric Acid SCHEMBL5334181 0.88 HTR6 (0.43) MPOHTR2AHTR2CHTR1ASLC6A4
SCHEMBL5330477 0.87 HTR2A (0.57) MPOHTR2AHTR2CHTR1ADRD2
Hydrochloric Acid SCHEMBL5331946 0.75 HTR6 (0.55) MPOHTR2AHTR2CHTR1ASLC6A4
Hydrochloric Acid SCHEMBL5330712 0.75 HTR6 (0.43) HTR2AHTR2CHTR1ASLC6A4PTGS2
SCHEMBL5332463 0.74 HTR6 (0.38) HTR2AHTR2CHTR1ASLC6A4DRD2
Hydrochloric Acid SCHEMBL5332344 0.74 HTR2A (0.54) HTR2AHTR2CHTR1ASLC6A4DRD2
SCHEMBL5333021 0.72 MPO (0.45) MPOHTR2AHTR2CHTR1ADRD2
SCHEMBL8191018 0.69 HTR6 (0.42) MPOHTR2AHTR2CHTR1ADRD2
SCHEMBL5333006 0.68 HTR6 (0.52) MPOHTR1ADRD2MAPTHTR6
SCHEMBL5330718 0.68 HTR6 (0.54) HTR2AHTR2CHTR1APTGS2DRD2

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