SCHEMBL4797958

SCHEMBL4797958

CC1(C)c2ccc(F)cc2S(=O)(=O)c2cc(S(=O)(=O)NC3CCNCC3)c(OCC(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.38
ADRA1D P25100 5/20 0.38
ADRA1A P35348 5/20 0.38
ADRA1B P35368 5/20 0.38
WNT3 P56703 1/20 0.37
SFRP1 Q8N474 1/20 0.37
BRD4 O60885 2/20 0.35
BRD2 P25440 2/20 0.35
BRD3 Q15059 2/20 0.35
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
HTR6 P50406 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
DRD3 P35462 1/20 0.32
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 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
SCHEMBL4732376 0.89 WNT3 (0.36) DRD2ADRA1DADRA1AADRA1BWNT3
SCHEMBL4733825 0.86 SFRP1 (0.46) WNT3SFRP1BRD4BRD2BRD3
SCHEMBL4797961 0.85 BRD4 (0.36) DRD2ADRA1DADRA1AADRA1BWNT3
SCHEMBL4735151 0.82 BRD4 (0.35) WNT3SFRP1BRD4BRD2BRD3
SCHEMBL4735477 0.75 DPP4 (0.36) DRD2WNT3SFRP1HTR1AHTR7
SCHEMBL4730171 0.74 SFRP1 (0.42) WNT3SFRP1BRD4
SCHEMBL4730889 0.72 SFRP1 (0.48) WNT3SFRP1BRD4BRD2BRD3
SCHEMBL4733107 0.72 SFRP1 (0.43) WNT3SFRP1
SCHEMBL4737035 0.72 BRD4 (0.43) WNT3SFRP1BRD4BRD2BRD3
SCHEMBL4782344 0.70 HTR1A (0.37) DRD2ADRA1DADRA1AADRA1BHTR1A

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 claimed