SCHEMBL1775946

SCHEMBL1775946

O=S(=O)(c1ccccc1C(F)(F)F)n1ccc2c(N3CCNCC3)nccc21

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.69
EPHX2 P34913 1/20 0.51
HSD11B1 P28845 1/20 0.45
HTR2C P28335 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NCF1 P14598 1/20 0.43

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 SCHEMBL1775865 0.99 HTR6 (0.67) HTR6EPHX2HSD11B1HTR2C
SCHEMBL1775337 0.85 HTR6 (0.52) HTR6HSD11B1MEN1KMT2A
SCHEMBL4306547 0.82 HTR6 (0.71) HTR6MEN1KMT2A
SCHEMBL1776812 0.82 HTR6 (1.00) HTR6
Hydrochloric Acid SCHEMBL1774191 0.81 HTR6 (0.98) HTR6
SCHEMBL1775359 0.79 HTR6 (0.64) HTR6
Hydrochloric Acid SCHEMBL1776556 0.78 HTR6 (0.63) HTR6
SCHEMBL1775765 0.77 HTR6 (0.61) HTR6HTR2C
Hydrochloric Acid SCHEMBL1774900 0.76 HTR6 (0.60) HTR6HTR2C
Hydrochloric Acid SCHEMBL6463228 0.76 HTR6 (0.60) HTR6

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