SCHEMBL1775615

SCHEMBL1775615

O=S(=O)(c1ccc(Br)cc1)c1cc2c(N3CCCNCC3)nccc2s1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.45
HTR2C P28335 5/20 0.44
HTT P42858 1/20 0.40
NMT1 P30419 1/20 0.39
NCF1 P14598 1/20 0.38
PRKCI P41743 1/20 0.37
HTR1D P28221 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35

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 SCHEMBL1775901 0.99 HTR6 (0.44) HTR6HTR2CHTTNMT1NCF1
SCHEMBL6385040 0.96 HTR6 (0.47) HTR6HTR2CHTTNCF1HTR1D
SCHEMBL1775896 0.90 HTR6 (0.53) HTR6HTR2C
Hydrochloric Acid SCHEMBL1773925 0.89 HTR6 (0.52) HTR6HTR2C
SCHEMBL6382957 0.89 HTR6 (0.47) HTR6HTR2C
SCHEMBL1775121 0.87 HTR6 (0.45) HTR6HTR2CNMT1PRKCIHTR1D
Hydrochloric Acid SCHEMBL1776341 0.87 HTR6 (0.44) HTR6HTR2CNMT1PRKCIHTR1D
SCHEMBL1776454 0.86 HTR6 (0.50) HTR6HTR2CNMT1PRKCI
SCHEMBL1776393 0.86 HTR6 (0.46) HTR6HTR2CNMT1PRKCICHRNB2
Hydrochloric Acid SCHEMBL1775284 0.85 HTR6 (0.49) HTR6HTR2CNMT1PRKCI

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