SCHEMBL5330718

SCHEMBL5330718

Cc1ccc(S(=O)(=O)Cc2[nH]c3ccccc3c2CCN(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.54
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1F P30939 1/20 0.47
HTR7 P34969 1/20 0.47
DRD3 P35462 1/20 0.47
CYP19A1 P11511 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
GAA P10253 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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 SCHEMBL5332344 0.90 HTR2A (0.54) HTR6HTR2AHTR2CHTR1ADRD2
SCHEMBL5420154 0.83 EGFR (0.44) CYP19A1CYP3A4MAPTEGFRSRC
Hydrochloric Acid SCHEMBL11859405 0.81 HTR6 (0.53) HTR6HTR2AHTR2CHTR1ADRD2
SCHEMBL5330477 0.80 HTR2A (0.57) HTR6HTR2AHTR2CHTR1ADRD2
SCHEMBL5378791 0.78 CYP19A1 (0.38) CYP19A1CYP3A4MAPTEGFRSRC
Hydrochloric Acid SCHEMBL5330712 0.77 HTR6 (0.43) HTR6HTR2AHTR2CHTR1AHTR1D
Hydrochloric Acid SCHEMBL5334181 0.77 HTR6 (0.43) HTR6HTR2AHTR2CHTR1AHTR1D
Hydrochloric Acid SCHEMBL5331946 0.77 HTR6 (0.55) HTR6HTR2AHTR2CHTR1AHTR1D
SCHEMBL5378787 0.77 CYP19A1 (0.38) CYP19A1EGFRSRCGAAHDAC3
SCHEMBL30485863 0.72 HTR6 (0.63) HTR6HTR2AHTR2CHTR1ADRD2

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 claimed