SCHEMBL4733309

SCHEMBL4733309

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccccc2C#N)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.58
CCR8 P51685 1/20 0.57
BRD4 O60885 2/20 0.52
SFRP1 Q8N474 4/20 0.51
GPR119 Q8TDV5 2/20 0.51
DRD2 P14416 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
STS P08842 3/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL1340628 0.88 CCR8 (0.66) CCR8BRD4SFRP1
SCHEMBL1339728 0.84 CCR8 (0.52) NR1H2CCR8BRD4SFRP1GPR119
SCHEMBL4734261 0.84 HRH2 (0.51) NR1H2CCR8SFRP1DRD2ADRA1D
SCHEMBL15932397 0.83 CCR8 (0.60) CCR8BRD4SFRP1GPR119STS
SCHEMBL31234649 0.83 CCR8 (0.60) CCR8BRD4SFRP1GPR119STS
SCHEMBL4784120 0.82 GPR119 (0.56) NR1H2CCR8BRD4SFRP1GPR119
SCHEMBL4736604 0.81 SFRP1 (0.67) NR1H2CCR8BRD4SFRP1STS
SCHEMBL377863 0.81 ALDH1A1 (0.55) CCR8BRD4GPR119STSALDH1A1
SCHEMBL31234802 0.80 MEN1 (0.60) CCR8BRD4SFRP1DRD2ADRA1D
SCHEMBL2107778 0.80 MEN1 (0.60) CCR8BRD4SFRP1DRD2ADRA1D

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
WO-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO disclosed