SCHEMBL5308657

SCHEMBL5308657

CN(C)CCc1c(CSc2ccccc2)[nH]c2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.46
HTR7 P34969 4/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR1A P08908 3/20 0.46
HTR1D P28221 3/20 0.46
HTR5A P47898 3/20 0.46
HTR1E P28566 2/20 0.46
MPO P05164 4/20 0.44
SLC6A4 P31645 2/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2B P41595 1/20 0.41
HTR1F P30939 1/20 0.41
GAA P10253 1/20 0.40
SLC6A2 P23975 1/20 0.39
DRD2 P14416 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL5308379 0.86 HTR6 (0.58) HTR6HTR7HTR2AHTR2CHTR1A
SCHEMBL5313708 0.84 HTR6 (0.67) HTR6HTR7HTR2AHTR2CHTR1A
SCHEMBL5313662 0.84 TERT (0.38) HTR6HTR7HTR2AHTR2CHTR1A
SCHEMBL11811395 0.77 GAA (0.45) HTR6HTR7HTR2AHTR2CHTR1A
SCHEMBL6823933 0.77 HTR2A (0.72) HTR6HTR7HTR2AHTR2CHTR1A
Hydrochloric Acid SCHEMBL5334181 0.76 HTR6 (0.43) HTR6HTR7HTR2AHTR2CHTR1A
SCHEMBL5331577 0.76 MPO (0.48) HTR6MPOGAADRD2ALDH1A1
SCHEMBL11806316 0.75 HTR6 (0.57) HTR6HTR7HTR2AHTR2CHTR1A
SCHEMBL11817293 0.75 HTR6 (0.63) HTR6HTR7HTR2AHTR2CHTR1A
SCHEMBL5307688 0.73 HTR6 (0.58) HTR6HTR7HTR2AHTR2CHTR1A

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