SCHEMBL4733468

SCHEMBL4733468

CC(C)c1ccccc1S(=O)(=O)NC1CCN(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
HTR6 P50406 4/20 0.49
HTR1A P08908 7/20 0.47
HTR7 P34969 7/20 0.47
CCR8 P51685 10/20 0.45
WNT3 P56703 1/20 0.42
SFRP1 Q8N474 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
SCHEMBL4617617 0.84 SFRP1 (0.57) WNT3SFRP1
SCHEMBL15614423 0.84 L3MBTL1 (0.51) DRD2HTR6HTR1AHTR7
SCHEMBL4736968 0.83 CCR8 (0.52) CCR8
SCHEMBL4802785 0.81 HTR1A (0.48) HTR1AHTR7CCR8WNT3SFRP1
SCHEMBL15916163 0.81 MAPT (0.65) HTR1AHTR7CCR8WNT3SFRP1
SCHEMBL4784223 0.80 HTR1A (0.42) DRD2HTR6HTR1AHTR7CCR8
SCHEMBL4733156 0.79 SFRP1 (0.59) DRD2HTR6HTR1AHTR7CCR8
SCHEMBL4736346 0.79 SFRP1 (0.47) WNT3SFRP1
SCHEMBL27900241 0.79 CCR8 (0.53) DRD2HTR6HTR7CCR8
SCHEMBL6102396 0.78 SFRP1 (0.51) WNT3SFRP1

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