SCHEMBL8337332

SCHEMBL8337332

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(OC4CCN(Cc5ccccc5)C4)s3)ccc2C(F)(F)F)C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.50
TMEM97 Q5BJF2 4/20 0.43
SCN8A Q9UQD0 4/20 0.43
SCN1A P35498 2/20 0.43
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8342189 0.91 UTS2R (0.59) UTS2RTMEM97
SCHEMBL6821322 0.88 UTS2R (0.55) UTS2RTMEM97
SCHEMBL6821330 0.88 UTS2R (0.55) UTS2RTMEM97
SCHEMBL6822884 0.86 UTS2R (0.55) UTS2RMAPK1
SCHEMBL6822882 0.86 UTS2R (0.55) UTS2RMAPK1
SCHEMBL6815846 0.84 UTS2R (0.57) UTS2R
SCHEMBL6815857 0.84 UTS2R (0.57) UTS2R
SCHEMBL8342604 0.83 UTS2R (0.57) UTS2R
SCHEMBL8340971 0.81 UTS2R (0.55) UTS2R
SCHEMBL6817599 0.81 UTS2R (0.60) 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-2004043366-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed