SCHEMBL1776476

SCHEMBL1776476

COc1ccc(NS(=O)(=O)c2cc3c(N4CCNCC4)nccc3s2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.49
HTR1D P28221 5/20 0.49
HTR1B P28222 5/20 0.49
HTR1A P08908 4/20 0.49
HTR2C P28335 4/20 0.49
HTR7 P34969 3/20 0.49
DRD2 P14416 2/20 0.49
ADRA1B P35368 2/20 0.49
DRD3 P35462 2/20 0.49
HTR4 Q13639 2/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 2/20 0.48
CYP1A2 P05177 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2D6 P10635 1/20 0.48
ADRB3 P13945 1/20 0.48

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 SCHEMBL1775651 0.99 HTR6 (0.49) HTR6HTR1DHTR1BHTR1AHTR2C
SCHEMBL1775888 0.85 HTR6 (0.46) HTR6HTR1DHTR1BHTR1AHTR2C
Hydrochloric Acid SCHEMBL1775502 0.85 HTR6 (0.45) HTR6HTR1DHTR1BHTR1AHTR2C
SCHEMBL1775636 0.84 HTR6 (0.47) HTR6HTR1DHTR1BHTR1AHTR2C
SCHEMBL1774831 0.84 HTR6 (0.50) HTR6HTR1DHTR1BHTR1AHTR2C
SCHEMBL1777202 0.83 HTR6 (0.48) HTR6HTR1DHTR1BHTR1AHTR2C
SCHEMBL1775900 0.83 HTR6 (0.48) HTR6HTR1DHTR1BHTR1AHTR2C
SCHEMBL1776158 0.83 HTR6 (0.54) HTR6HTR1DHTR1BHTR1AHTR2C
Hydrochloric Acid SCHEMBL1774724 0.83 HTR6 (0.46) HTR6HTR1DHTR1BHTR1AHTR2C
SCHEMBL1775048 0.83 HTR6 (0.49) HTR6HTR1DHTR1BHTR1AHTR2C

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
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US claimed