SCHEMBL4799712

SCHEMBL4799712

CC(C)c1cc2c(cc1S(=O)(=O)NC1CCNCC1)S(=O)(=O)c1cccc(F)c1CN2C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.38
HTR6 P50406 6/20 0.38
HTR1A P08908 10/20 0.36
HTR7 P34969 10/20 0.36
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
WNT3 P56703 1/20 0.34
SFRP1 Q8N474 1/20 0.34
ADRA1D P25100 4/20 0.34
ADRA1A P35348 4/20 0.34
ADRA1B P35368 4/20 0.34
HTR2A P28223 2/20 0.33
CCR8 P51685 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32

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
SCHEMBL4732227 0.77 HTR1A (0.38) DRD2HTR6HTR1AHTR7ALOX5AP
SCHEMBL4730358 0.73 BRD4 (0.39) DRD2HTR6HTR1AHTR7ALOX5AP
SCHEMBL4799706 0.71 SLC6A2 (0.31)
SCHEMBL4729713 0.70 HTR1A (0.36) DRD2HTR6HTR1AHTR7ALOX5AP
SCHEMBL4734290 0.69 HTR1A (0.35) DRD2HTR6HTR1AHTR7ALOX5AP
SCHEMBL4734388 0.66 CCR8 (0.46) DRD2HTR6HTR1AHTR7ALOX5AP
Hydrochloric Acid SCHEMBL4734829 0.65 CCR8 (0.46) DRD2HTR6HTR1AHTR7ALOX5AP
SCHEMBL4617906 0.64 SFRP1 (0.56) DRD2HTR6HTR1AHTR7WNT3
SCHEMBL4735405 0.63 HTR1A (0.39) DRD2HTR6HTR1AHTR7ADRA1D
SCHEMBL6102370 0.63 SFRP1 (0.66) 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 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