SCHEMBL8340488

SCHEMBL8340488

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2Cl)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 12/20 0.69
HTR6 P50406 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
DRD2 P14416 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
CYP2C19 P33261 2/20 0.51
DRD3 P35462 2/20 0.51
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1E P28566 1/20 0.51
HTR1F P30939 1/20 0.51
HTR7 P34969 1/20 0.51
ADRA1B P35368 1/20 0.51
HTR2B P41595 1/20 0.51
HTR4 Q13639 1/20 0.51
MAPT P10636 2/20 0.45

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
SCHEMBL8342919 0.92 UTS2R (0.66) UTS2RHTR6CYP1A2CYP3A4CYP2D6
SCHEMBL8342926 0.91 UTS2R (0.65) UTS2RCYP1A2CYP3A4CYP2D6HTR2C
SCHEMBL5834811 0.90 UTS2R (0.70) UTS2RHTR6MAPTMEN1LMNA
SCHEMBL5834807 0.90 UTS2R (0.70) UTS2RHTR6MAPTMEN1LMNA
SCHEMBL6823026 0.90 UTS2R (0.64) UTS2RHTR6DRD2HTR2AHTR2C
SCHEMBL6823022 0.90 UTS2R (0.64) UTS2RHTR6DRD2HTR2AHTR2C
SCHEMBL8342609 0.90 UTS2R (0.64) UTS2RHTR6CYP1A2CYP3A4CYP2D6
SCHEMBL5835458 0.89 UTS2R (0.63) UTS2RHTR6DRD2DRD3MAPT
SCHEMBL5835453 0.89 UTS2R (0.63) UTS2RHTR6DRD2DRD3MAPT
SCHEMBL5835336 0.88 UTS2R (0.62) UTS2RHTR6CYP1A2CYP3A4CYP2D6

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-2004043366-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed