SCHEMBL1777100

SCHEMBL1777100

COc1cccc(C(=O)C(C)S(=O)(=O)c2cc3c(N4CCNCC4)nccc3s2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.46
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
USP2 O75604 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRND Q07001 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
TP53 P04637 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
SCHEMBL1775564 0.89 HTR6 (0.44) HTR6USP2HSD17B10DRD2TSHR
SCHEMBL1775382 0.84 HTR6 (0.45) HTR6CYP1A2CYP3A4USP2CYP2C19
SCHEMBL1775766 0.84 HTR2C (0.40) HTR6USP2HSD17B10CLK4DRD2
SCHEMBL1776873 0.82 HTR6 (0.57) HTR6CYP1A2CYP3A4USP2CYP2C19
Hydrochloric Acid SCHEMBL1774370 0.82 HTR6 (0.56) HTR6CYP1A2CYP3A4USP2CYP2C19
Hydrochloric Acid SCHEMBL5012454 0.81 HTR2C (0.39) HTR6USP2HSD17B10CLK4DRD2
Hydrochloric Acid SCHEMBL1775164 0.79 HTR2C (0.37) HTR6USP2HSD17B10CLK4DRD2
SCHEMBL1775410 0.78 HTR6 (0.48) HTR6CYP1A2CYP3A4USP2CYP2C19
Hydrochloric Acid SCHEMBL1776185 0.77 HTR6 (0.47) HTR6CYP1A2CYP3A4USP2CYP2C19
SCHEMBL1774912 0.76 HTR6 (0.43) HTR6CYP1A2CYP3A4USP2CYP2C19

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 2 patents. 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 disclosed
EP-1897881-A2 Compounds useful for the treatment of obesity, type II diabetes and CNS disorders Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed