SCHEMBL4782344

SCHEMBL4782344

CC(C)c1cc2c(cc1S(=O)(=O)NC1CCOCC1)S(=O)(=O)c1cc(F)ccc1C2(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.37
HTR7 P34969 10/20 0.37
DRD2 P14416 5/20 0.37
HTR6 P50406 5/20 0.37
HTR2A P28223 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
DPP4 P27487 6/20 0.33
DPP7 Q9UHL4 5/20 0.33
KCNH2 Q12809 3/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP26A1 O43174 1/20 0.32
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL4732731 0.86 CNR2 (0.38) HTR1AHTR7DRD2HTR6CYP26A1
SCHEMBL4731657 0.85 HTR1A (0.38) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4733337 0.80 HTR1A (0.35) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4734722 0.78 HCAR3 (0.33)
SCHEMBL4735405 0.76 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4736205 0.76 HTT (0.35)
SCHEMBL4735151 0.76 BRD4 (0.35) HTR6DPP4DPP7KCNH2HDAC8
SCHEMBL4733825 0.74 SFRP1 (0.46) HDAC8
SCHEMBL4797961 0.73 BRD4 (0.36) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL6102384 0.73 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A

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