SCHEMBL8236644

SCHEMBL8236644

O=C(c1ccccc1N1CCOC1=O)N1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.46
SFRP1 Q8N474 3/20 0.46
LMNA P02545 2/20 0.45
IDH2 P48735 2/20 0.44
DRD2 P14416 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
NR1I2 O75469 3/20 0.44
CYP3A4 P08684 2/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL4393980 0.85 CACNA1B (0.66) CACNA1BNR1I2CYP3A4
SCHEMBL8234373 0.77 LMNA (0.49) CACNA1BSFRP1LMNAIDH2NR1I2
SCHEMBL4281416 0.71 STS (0.60) SFRP1DRD2ADRA1DADRA1AADRA1B
SCHEMBL2420848 0.71 CA1 (0.62) LMNAIDH2DRD2ADRA1DADRA1A
SCHEMBL25146086 0.71 HDAC8 (0.42) SFRP1IDH2DRD2ADRA1DADRA1A
SCHEMBL25146051 0.70 MGLL (0.45) SFRP1IDH2DRD2ADRA1DADRA1A
SCHEMBL13880084 0.69 HTR1A (0.52) LMNAIDH2DRD2ADRA1DADRA1A
SCHEMBL27683100 0.68 HTR1A (0.52) CACNA1BSFRP1LMNAIDH2DRD2
SCHEMBL23052376 0.68 HTR1A (0.61) SFRP1LMNAHTR1AHTR7ALDH1A1
SCHEMBL8232005 0.68 SFRP1 (0.51) SFRP1IDH2HTR1AHTR7HPGD

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-2007118854-A1 BENZENESULFONAMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-10-25 WO disclosed