SCHEMBL6830599

SCHEMBL6830599

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3cc(Cl)c(-c4ccc(C#N)cc4)s3)ccc2Cl)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 12/20 0.53
HTR6 P50406 3/20 0.41
DRD2 P14416 2/20 0.41
HTR2C P28335 2/20 0.41
DRD3 P35462 2/20 0.41
HTR2A P28223 1/20 0.41
HRH3 Q9Y5N1 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
SGK1 O00141 2/20 0.35
IDH1 O75874 1/20 0.35

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 0.91 UTS2R (0.57) UTS2RHTR6DRD2HTR2CDRD3
SCHEMBL6828386 0.91 UTS2R (0.57) UTS2RHTR6DRD2HTR2CDRD3
SCHEMBL6828752 0.90 UTS2R (0.56) UTS2RHTR6DRD2HTR2CDRD3
SCHEMBL6829339 0.89 UTS2R (0.56) UTS2RHTR6DRD2HTR2CDRD3
SCHEMBL6829334 0.89 UTS2R (0.56) UTS2RHTR6DRD2HTR2CDRD3
SCHEMBL6828914 0.84 UTS2R (0.58) UTS2RPI4KB
SCHEMBL6828911 0.84 UTS2R (0.58) UTS2RPI4KB
SCHEMBL6828486 0.83 UTS2R (0.53) UTS2RHTR6
SCHEMBL6828484 0.83 UTS2R (0.53) UTS2RHTR6
SCHEMBL5835573 0.82 UTS2R (0.64) UTS2RHTR6DRD2HTR2CDRD3

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