SCHEMBL4731336

SCHEMBL4731336

CC(C)c1cc2c(cc1S(=O)(=O)NCC1CCOCC1)S(=O)(=O)c1cc(F)ccc1C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.39
CNR1 P21554 4/20 0.37
HTR7 P34969 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR6 P50406 1/20 0.35
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
NPY5R Q15761 2/20 0.33

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
SCHEMBL4733452 0.93 CNR2 (0.39) CNR2CNR1HTR7HTR1ADRD2
SCHEMBL4732731 0.86 CNR2 (0.38) CNR2CNR1HTR7HTR1ADRD2
SCHEMBL4732339 0.84 NAMPT (0.38) CNR2NAMPT
SCHEMBL4731657 0.79 HTR1A (0.38) HTR7HTR1ADRD2HTR6NAMPT
SCHEMBL4732673 0.76 CNR2 (0.40) CNR2CNR1DRD2NAMPTNPY5R
SCHEMBL6102894 0.76 HTR1A (0.45) CNR2CNR1HTR7HTR1ADRD2
SCHEMBL4729817 0.75 TSHR (0.43) CNR2KMT2A
SCHEMBL4732276 0.75 CNR2 (0.41) CNR2CNR1MEN1KMT2ATP53
SCHEMBL4617752 0.74 HTR1A (0.47) CNR2CNR1HTR7HTR1ADRD2
SCHEMBL4730979 0.74 TBXAS1 (0.42) NPY5R

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
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO claimed
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed