SCHEMBL1777435

SCHEMBL1777435

CC(C)(C)c1ccc(S(=O)(=O)c2cc3c(N4CCNCC4)nccc3s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.48
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2C P28335 4/20 0.45
PRKCI P41743 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
HSD11B1 P28845 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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 SCHEMBL1774375 0.99 HTR6 (0.47) HTR6HTR1AHTR1DHTR1BHTR2C
SCHEMBL1775121 0.96 HTR6 (0.45) HTR6HTR1AHTR1DHTR1BHTR2C
Hydrochloric Acid SCHEMBL1776341 0.95 HTR6 (0.44) HTR6HTR1AHTR1DHTR1BHTR2C
SCHEMBL6385040 0.86 HTR6 (0.47) HTR6HTR1AHTR1DHTR2C
SCHEMBL1775605 0.86 HTR6 (0.56) HTR6HTR1AHTR2C
SCHEMBL1775410 0.86 HTR6 (0.48) HTR6HTR2C
SCHEMBL6382957 0.85 HTR6 (0.47) HTR6HTR2C
SCHEMBL1776158 0.85 HTR6 (0.54) HTR6HTR1AHTR1DHTR1BHTR2C
Hydrochloric Acid SCHEMBL1775612 0.85 HTR6 (0.55) HTR6HTR1AHTR2C
Hydrochloric Acid SCHEMBL1776185 0.85 HTR6 (0.47) HTR6HTR2C

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