SCHEMBL4023837

SCHEMBL4023837

CCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.76
HTR1A P08908 4/20 0.76
HTR1D P28221 3/20 0.76
HTR1B P28222 3/20 0.76
HTR1F P30939 3/20 0.76
HTR7 P34969 3/20 0.76
DRD3 P35462 3/20 0.76
DRD2 P14416 3/20 0.74
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
HTR2A P28223 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL4029770 0.90 HTR6 (0.72) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL27642788 0.86 HTR6 (0.76) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL739877 0.86 HTR6 (1.00) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL7245193 0.85 HTR6 (1.00) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL7439766 0.84 HTR6 (0.85) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3622368 0.83 HTR6 (0.67) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL6926275 0.83 HTR6 (1.00) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL4020191 0.83 HTR6 (0.71) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL16796502 0.83 HTR6 (0.71) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3624652 0.83 HTR6 (0.71) HTR6HTR1AHTR1DHTR1BHTR1F

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
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO disclosed