SCHEMBL1776940

SCHEMBL1776940

COc1ccccc1S(=O)(=O)c1cc2c(N3CCNCC3)nccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
HTR6 P50406 7/20 0.43
HTR2C P28335 3/20 0.43
NCF1 P14598 1/20 0.40
GHSR Q92847 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ADRB1 P08588 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.39

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 SCHEMBL1775567 0.99 CYP2C19 (0.43) CYP2C19USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL1774912 0.89 HTR6 (0.43) CYP2C19USP2CYP1A2CYP3A4CLK4
Hydrochloric Acid SCHEMBL1774669 0.88 HTR6 (0.42) CYP2C19USP2CYP1A2CYP3A4CLK4
SCHEMBL1775158 0.85 HTR2C (0.44) HTR6HTR2CDRD2
SCHEMBL1776434 0.85 HTR2C (0.44) HTR6HTR2CNCF1DRD2
Hydrochloric Acid SCHEMBL1775915 0.84 HTR6 (0.43) HTR6HTR2CDRD2MAPT
Hydrochloric Acid SCHEMBL1776291 0.84 HTR6 (0.43) HTR6HTR2CNCF1DRD2MAPT
SCHEMBL1774794 0.84 HTR2C (0.55) HTR6HTR2CDRD2
Hydrochloric Acid SCHEMBL1774267 0.83 HTR2C (0.54) HTR6HTR2CDRD2
SCHEMBL1775605 0.82 HTR6 (0.56) HTR6HTR2CDRD2

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