SCHEMBL6828309

SCHEMBL6828309

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3cc(Cl)c(-c4cccc(CO)c4)s3)ccc2C(F)(F)F)C1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 18/20 0.52
CHRM3 P20309 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL6828311 1.00 UTS2R (0.52) UTS2RCHRM3SCN9A
SCHEMBL6828550 0.91 UTS2R (0.50) UTS2R
SCHEMBL6828548 0.91 UTS2R (0.50) UTS2R
SCHEMBL6830604 0.90 UTS2R (0.52) UTS2RCHRM3SCN9A
SCHEMBL6830608 0.90 UTS2R (0.52) UTS2RCHRM3SCN9A
SCHEMBL6825907 0.89 UTS2R (0.57) UTS2R
SCHEMBL6825909 0.89 UTS2R (0.57) UTS2R
SCHEMBL6829210 0.89 UTS2R (0.54) UTS2R
SCHEMBL6829204 0.89 UTS2R (0.54) UTS2R
SCHEMBL6828693 0.88 UTS2R (0.53) UTS2R

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