SCHEMBL6830470

SCHEMBL6830470

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3cc(-c4ccc(F)c(Cl)c4)c(Cl)s3)ccc2Br)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.51
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42
HTR6 P50406 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CHRM3 P20309 5/20 0.40
PI4KB Q9UBF8 1/20 0.37
SGK1 O00141 1/20 0.37
PFKFB3 Q16875 1/20 0.36
ERBB2 P04626 1/20 0.36
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 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
SCHEMBL6830473 1.00 UTS2R (0.51) UTS2RDRD2HTR2AHTR2CDRD3
SCHEMBL6830221 0.93 UTS2R (0.53) UTS2RDRD2HTR2AHTR2CDRD3
SCHEMBL6830219 0.93 UTS2R (0.53) UTS2RDRD2HTR2AHTR2CDRD3
SCHEMBL8340113 0.91 UTS2R (0.46) UTS2RDRD2HTR2AHTR2CDRD3
SCHEMBL8339640 0.86 UTS2R (0.56) UTS2RDRD2HTR2CDRD3HTR6
SCHEMBL8339835 0.86 UTS2R (0.60) UTS2RHTR6ERBB2EPHA2KDR
SCHEMBL8337423 0.85 UTS2R (0.58) UTS2RHTR6ERBB2EPHA2KDR
SCHEMBL6828735 0.82 UTS2R (0.56) UTS2RDRD2HTR2CDRD3HTR6
SCHEMBL6828739 0.82 UTS2R (0.56) UTS2RDRD2HTR2CDRD3HTR6
SCHEMBL6828887 0.82 UTS2R (0.57) UTS2RDRD2HTR2AHTR2CDRD3

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