SCHEMBL4733337

SCHEMBL4733337

CC(C)c1cc2c(cc1S(=O)(=O)NC1CCOCC1)S(=O)(=O)c1cc(F)ccc1C(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.35
HTR7 P34969 8/20 0.35
DRD2 P14416 4/20 0.35
HTR6 P50406 4/20 0.35
BRD4 O60885 1/20 0.32
DPP4 P27487 4/20 0.32
DPP7 Q9UHL4 3/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
KCNH2 Q12809 1/20 0.31
KCNA3 P22001 1/20 0.30
LRRK2 Q5S007 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL4734290 0.90 HTR1A (0.35) HTR1AHTR7DRD2HTR6BRD4
SCHEMBL4731530 0.89 BRD4 (0.37) HTR1AHTR7DRD2HTR6BRD4
SCHEMBL4734123 0.87 HTR1A (0.38) HTR1AHTR7DRD2HTR6DPP4
SCHEMBL4782344 0.80 HTR1A (0.37) HTR1AHTR7DRD2HTR6DPP4
SCHEMBL4731657 0.80 HTR1A (0.38) HTR1AHTR7DRD2HTR6DPP4
SCHEMBL4736394 0.79 TGM2 (0.34) BRD4
SCHEMBL4734122 0.78 HTR1A (0.38) HTR1AHTR7DRD2HTR6DPP4
SCHEMBL4734165 0.76 TAAR1 (0.40)
SCHEMBL4732227 0.74 HTR1A (0.38) HTR1AHTR7DRD2HTR6BRD4
SCHEMBL4729713 0.74 HTR1A (0.36) HTR1AHTR7DRD2HTR6BRD4

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