SCHEMBL1776567

SCHEMBL1776567

CN1CCN(c2nccc3sc(S(=O)(=O)NCc4cccc(F)c4F)cc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GUSB P08236 3/20 0.42
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 2/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
DRD2 P14416 6/20 0.36
HTR2A P28223 6/20 0.36
HTR7 P34969 4/20 0.36
HTR6 P50406 4/20 0.36
GAA P10253 1/20 0.36
DRD3 P35462 2/20 0.35
PIK3CA P42336 1/20 0.34

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 SCHEMBL1775412 0.99 GUSB (0.41) GUSBPOLBKMT2AHRH4SCN1A
SCHEMBL1776236 0.89 GUSB (0.42) GUSBHTR6
Hydrochloric Acid SCHEMBL1774071 0.89 GUSB (0.42) GUSBHTR6
SCHEMBL1775535 0.82 FLT3 (0.46) GUSBPOLBKMT2AHRH4DRD2
Hydrochloric Acid SCHEMBL1773881 0.81 FLT3 (0.45) GUSBPOLBKMT2AHRH4DRD2
SCHEMBL1776012 0.76 GUSB (0.43) GUSBHRH4DRD2HTR2AHTR7
SCHEMBL5015937 0.76 HRH4 (0.46) POLBHRH4DRD2HTR2ADRD3
SCHEMBL1775401 0.76 HRH4 (0.45) POLBKMT2AHRH4DRD2HTR2A
Hydrochloric Acid SCHEMBL1775921 0.76 GUSB (0.42) GUSBHRH4DRD2HTR2AHTR7
SCHEMBL1777263 0.75 HTR2C (0.42) GUSBDRD2HTR7HTR6

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