SCHEMBL6820879

SCHEMBL6820879

CN1CCC(Oc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2C(F)(F)F)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.70
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
HTR6 P50406 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
DRD2 P14416 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR1E P28566 1/20 0.49
HTR1F P30939 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR7 P34969 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL8339810 1.00 UTS2R (0.70) UTS2RFFAR1FFAR4HTR6CYP1A2
SCHEMBL6817433 0.92 UTS2R (0.68) UTS2RFFAR4
SCHEMBL8342761 0.92 UTS2R (0.68) UTS2RFFAR1FFAR4
SCHEMBL8342132 0.92 UTS2R (0.68) UTS2RFFAR1FFAR4HTR6
SCHEMBL8342765 0.91 UTS2R (0.67) UTS2RHTR6
SCHEMBL5834910 0.90 UTS2R (0.71) UTS2RFFAR1FFAR4
SCHEMBL5834906 0.90 UTS2R (0.71) UTS2RFFAR1FFAR4
SCHEMBL8342924 0.90 UTS2R (0.68) UTS2RFFAR1FFAR4
SCHEMBL5835553 0.89 UTS2R (0.65) UTS2RHTR6DRD2DRD3
SCHEMBL5835561 0.89 UTS2R (0.65) UTS2RHTR6DRD2DRD3

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-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed