SCHEMBL5313708

SCHEMBL5313708

COc1ccc2[nH]c(CSc3ccccc3)c(CCN(C)C)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.67
HTR1D P28221 5/20 0.67
HTR1A P08908 4/20 0.67
HTR7 P34969 4/20 0.67
HTR5A P47898 4/20 0.67
HTR2A P28223 4/20 0.67
HTR1E P28566 3/20 0.67
HTR2C P28335 3/20 0.67
SLC6A4 P31645 2/20 0.64
SLC6A2 P23975 1/20 0.60
MTNR1A P48039 7/20 0.48
MTNR1B P49286 7/20 0.48
HTR2B P41595 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46

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
SCHEMBL11817293 0.91 HTR6 (0.63) HTR6HTR1DHTR1AHTR7HTR5A
SCHEMBL5307688 0.85 HTR6 (0.58) HTR6HTR1DHTR1AHTR7HTR5A
SCHEMBL5308379 0.84 HTR6 (0.58) HTR6HTR1DHTR1AHTR7HTR5A
SCHEMBL5308657 0.84 HTR6 (0.46) HTR6HTR1DHTR1AHTR7HTR5A
SCHEMBL29389149 0.81 HTR6 (1.00) HTR6HTR1DHTR1AHTR7HTR5A
SCHEMBL2537573 0.81 HTR6 (1.00) HTR6HTR1DHTR1AHTR7HTR5A
SCHEMBL29423321 0.78 HTR6 (1.00) HTR6HTR1DHTR1AHTR7HTR5A
SCHEMBL5763578 0.78 HTR6 (1.00) HTR6HTR1DHTR1AHTR7HTR5A
SCHEMBL5329102 0.77 KDM4E (0.46) HTR6MTNR1AMTNR1BL3MBTL1KMT2A
SCHEMBL5766124 0.76 HTR6 (1.00) HTR6HTR1DHTR1AHTR7HTR5A

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