SCHEMBL5307688

SCHEMBL5307688

COc1ccc(SCc2[nH]c3ccc(Cl)cc3c2CCN(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.58
HTR7 P34969 5/20 0.58
HTR1A P08908 4/20 0.58
HTR1D P28221 4/20 0.58
HTR5A P47898 4/20 0.58
HTR1E P28566 3/20 0.58
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
HTR2B P41595 2/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.47
IDO1 P14902 2/20 0.43
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43

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 0.87 HTR6 (0.58) HTR6HTR7HTR1AHTR1DHTR5A
SCHEMBL5313708 0.85 HTR6 (0.67) HTR6HTR7HTR1AHTR1DHTR5A
SCHEMBL4656461 0.76 HTR6 (0.70) HTR6HTR7HTR1AHTR1DHTR5A
SCHEMBL11817293 0.76 HTR6 (0.63) HTR6HTR7HTR1AHTR1DHTR5A
SCHEMBL2537573 0.74 HTR6 (1.00) HTR6HTR7HTR1AHTR1DHTR5A
SCHEMBL29389149 0.74 HTR6 (1.00) HTR6HTR7HTR1AHTR1DHTR5A
SCHEMBL5308657 0.73 HTR6 (0.46) HTR6HTR7HTR1AHTR1DHTR5A
SCHEMBL1817642 0.71 HTR6 (1.00) HTR6HTR7HTR1AHTR1DHTR5A
SCHEMBL11810270 0.71 HTR6 (0.52) HTR6HTR7HTR1AHTR1DHTR2A
SCHEMBL5766124 0.69 HTR6 (1.00) HTR6HTR7HTR1AHTR1DHTR5A

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