SCHEMBL1776166

SCHEMBL1776166

CC(C)(C)c1ccccc1S(=O)(=O)c1ccc2ccnc(N3CCNCC3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.66
HTR2C P28335 2/20 0.52
EPHX2 P34913 1/20 0.40
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
HSD11B1 P28845 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2B P41595 1/20 0.38

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 SCHEMBL1775352 0.99 HTR6 (0.65) HTR6HTR2CEPHX2HTR1AHTR1D
SCHEMBL1778835 0.96 HTR6 (0.62) HTR6HTR2CEPHX2HTR1AHTR1D
Hydrochloric Acid SCHEMBL1780272 0.95 HTR6 (0.61) HTR6HTR2CEPHX2HTR1AHTR1D
SCHEMBL1774802 0.84 HTR6 (0.76) HTR6HTR2CHTR1ADRD2
Hydrochloric Acid SCHEMBL1774991 0.83 HTR6 (0.74) HTR6HTR2CHTR1ADRD2
SCHEMBL1776222 0.81 HTR6 (0.68) HTR6HTR2CHTR1AHTR1DHTR1B
SCHEMBL1775376 0.80 HTR6 (0.74) HTR6HTR2CHTR1ADRD2
SCHEMBL1777219 0.80 HTR6 (0.74) HTR6HTR2CHTR1ADRD2
SCHEMBL1775290 0.80 HTR6 (0.70) HTR6HTR2CHTR1ADRD2
Hydrochloric Acid SCHEMBL1780081 0.80 HTR6 (0.67) HTR6HTR2CHTR1AHTR1DHTR1B

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