SCHEMBL6828386

SCHEMBL6828386

CN1CCC(Oc2cc(NS(=O)(=O)c3cc(Cl)c(-c4ccc(Cl)cc4)s3)ccc2Cl)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 12/20 0.57
HTR6 P50406 4/20 0.44
HTR2C P28335 4/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 2/20 0.44
SGK1 O00141 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR2A P28223 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 2/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL6828384 1.00 UTS2R (0.57) UTS2RHTR6HTR2CDRD2DRD3
SCHEMBL6828752 0.94 UTS2R (0.56) UTS2RHTR6HTR2CDRD2DRD3
SCHEMBL6829334 0.93 UTS2R (0.56) UTS2RHTR6HTR2CDRD2DRD3
SCHEMBL6829339 0.93 UTS2R (0.56) UTS2RHTR6HTR2CDRD2DRD3
SCHEMBL6830599 0.91 UTS2R (0.53) UTS2RHTR6HTR2CDRD2DRD3
SCHEMBL6828911 0.87 UTS2R (0.58) UTS2R
SCHEMBL6828914 0.87 UTS2R (0.58) UTS2R
SCHEMBL6828486 0.87 UTS2R (0.53) UTS2RHTR6
SCHEMBL6828484 0.87 UTS2R (0.53) UTS2RHTR6
SCHEMBL6829346 0.85 UTS2R (0.55) UTS2RHTR6

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-2004043368-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed
WO-2004043368-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed