SCHEMBL1775970

SCHEMBL1775970

CCN(CC)c1ccc(C(=O)CS(=O)(=O)c2cc3c(N4CCNCC4)nccc3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
HTR2C P28335 5/20 0.39
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
HTR6 P50406 7/20 0.36
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR1A P08908 3/20 0.34
DRD2 P14416 2/20 0.34
HTR7 P34969 2/20 0.34
OPRD1 P41143 1/20 0.33
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32

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 SCHEMBL1774530 0.99 HSD11B1 (0.41) HSD11B1HTR2CUSP2TSHRHSD17B10
SCHEMBL1776423 0.86 HTR6 (0.45) HTR2CUSP2TSHRHSD17B10HTR6
SCHEMBL1775389 0.85 HTR2C (0.40) HTR2CUSP2TSHRHSD17B10CLK4
Hydrochloric Acid SCHEMBL1776105 0.84 HTR2C (0.40) HTR2CUSP2TSHRHSD17B10CLK4
Hydrochloric Acid SCHEMBL1775164 0.84 HTR2C (0.37) HTR2CUSP2TSHRHSD17B10CLK4
SCHEMBL6386118 0.84 HTR6 (0.46) HTR2CHTR6KDM4ECYP1A2CYP3A4
SCHEMBL1774379 0.83 HTR2C (0.39) HTR2CUSP2TSHRHSD17B10CLK4
SCHEMBL1775382 0.80 HTR6 (0.45) HSD11B1HTR2CUSP2TSHRHSD17B10
SCHEMBL5015941 0.75 HTR2C (0.53) HTR2CHTR6HTR1ADRD2HTR7
SCHEMBL1775723 0.73 HTR6 (0.45) HTR2CHTR6HTR1AHTR7HTR1D

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