SCHEMBL4735919

SCHEMBL4735919

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.51
ADRA2A P08913 3/20 0.51
NPY5R Q15761 3/20 0.51
CCR8 P51685 1/20 0.51
SFRP1 Q8N474 6/20 0.50
BRD4 O60885 1/20 0.48
USP30 Q70CQ3 1/20 0.47
STS P08842 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
WNT3 P56703 2/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4732371 0.92 SFRP1 (0.50) CCR8SFRP1BRD4USP30STS
SCHEMBL17394215 0.89 STS (0.53) CCR8SFRP1BRD4USP30STS
SCHEMBL4734475 0.88 MCHR1 (0.54) MCHR1ADRA2ANPY5RSFRP1KDM4E
SCHEMBL4735664 0.86 SFRP1 (0.58) CCR8SFRP1BRD4USP30STS
SCHEMBL3947055 0.84 MCHR1 (0.54) MCHR1ADRA2ANPY5R
SCHEMBL3947061 0.84 MCHR1 (0.54) MCHR1ADRA2ANPY5R
SCHEMBL3006664 0.83 MCHR1 (0.66) MCHR1ADRA2ANPY5R
SCHEMBL16013308 0.83 STS (0.61) CCR8SFRP1BRD4USP30STS
SCHEMBL16124960 0.82 CCR8 (0.52) CCR8SFRP1BRD4USP30STS
SCHEMBL3027665 0.81 MCHR1 (0.61) MCHR1ADRA2ANPY5RALDH1A1

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