SCHEMBL1777263

SCHEMBL1777263

O=S(=O)(Cc1cccc(F)c1F)c1cc2c(N3CCNCC3)nccc2s1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.42
HTR6 P50406 9/20 0.40
HTR1A P08908 3/20 0.38
DRD2 P14416 2/20 0.38
HTR7 P34969 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
OPRL1 P41146 1/20 0.37
AKR1B1 P15121 1/20 0.37
GUSB P08236 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 SCHEMBL1774866 0.99 HTR2C (0.41) HTR2CHTR6HTR1ADRD2HTR7
SCHEMBL1776236 0.86 GUSB (0.42) HTR2CHTR6GUSB
Hydrochloric Acid SCHEMBL1774071 0.85 GUSB (0.42) HTR2CHTR6GUSB
SCHEMBL1776417 0.82 HTR6 (0.48) HTR2CHTR6
Hydrochloric Acid SCHEMBL1774476 0.81 HTR6 (0.47) HTR2CHTR6
SCHEMBL1775983 0.80 HTR2C (0.42) HTR2CHTR6HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL1774964 0.79 HTR2C (0.42) HTR2CHTR6HTR1ADRD2HTR7
SCHEMBL1777561 0.79 NCF1 (0.41) HTR2CHTR6GUSB
SCHEMBL1777105 0.79 HTR2C (0.45) HTR2CHTR6
SCHEMBL1775723 0.79 HTR6 (0.45) HTR2CHTR6HTR1AHTR7

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