SCHEMBL1776434

SCHEMBL1776434

CC(C)(C)c1ccccc1S(=O)(=O)c1cc2c(N3CCNCC3)nccc2s1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.44
HTR6 P50406 10/20 0.44
EPHX2 P34913 1/20 0.40
NCF1 P14598 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2B P41595 1/20 0.36

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 SCHEMBL1776291 0.99 HTR6 (0.43) HTR2CHTR6EPHX2NCF1HTR1A
SCHEMBL1775158 0.86 HTR2C (0.44) HTR2CHTR6HTR1ADRD2HTR1D
Hydrochloric Acid SCHEMBL1775915 0.85 HTR6 (0.43) HTR2CHTR6HTR1ADRD2HTR1D
SCHEMBL1776940 0.85 CYP2C19 (0.43) HTR2CHTR6NCF1DRD2
SCHEMBL1774794 0.85 HTR2C (0.55) HTR2CHTR6HTR1ADRD2HTR1D
Hydrochloric Acid SCHEMBL1775567 0.84 CYP2C19 (0.43) HTR2CHTR6NCF1DRD2
Hydrochloric Acid SCHEMBL1774267 0.84 HTR2C (0.54) HTR2CHTR6HTR1ADRD2HTR1D
SCHEMBL1775605 0.83 HTR6 (0.56) HTR2CHTR6HTR1ADRD2
SCHEMBL1777435 0.83 HTR6 (0.48) HTR2CHTR6HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL1775612 0.82 HTR6 (0.55) HTR2CHTR6HTR1ADRD2

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