SCHEMBL5726862

SCHEMBL5726862

COc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(C(F)(F)F)cc3)s1)CCN(C)CC2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.54
DRD2 P14416 5/20 0.54
HTR2C P28335 5/20 0.54
DRD3 P35462 5/20 0.54
HTR2A P28223 3/20 0.54
SLC2A1 P11166 1/20 0.49
GHSR Q92847 10/20 0.48
KIF11 P52732 1/20 0.45
MMP1 P03956 1/20 0.44
MMP13 P45452 1/20 0.44
ERAP1 Q9NZ08 1/20 0.40

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
SCHEMBL5727854 0.93 GHSR (0.52) HTR6DRD2HTR2CDRD3HTR2A
SCHEMBL5726744 0.89 DRD2 (0.57) HTR6DRD2HTR2CDRD3HTR2A
SCHEMBL5727521 0.88 DRD2 (0.58) HTR6DRD2HTR2CDRD3HTR2A
SCHEMBL5727648 0.88 DRD2 (0.57) HTR6DRD2HTR2CDRD3HTR2A
SCHEMBL5727550 0.87 DRD2 (0.71) HTR6DRD2HTR2CDRD3HTR2A
SCHEMBL5727546 0.87 GHSR (0.62) HTR6DRD2HTR2CDRD3HTR2A
SCHEMBL5726850 0.86 DRD2 (0.52) HTR6DRD2HTR2CDRD3HTR2A
SCHEMBL5727922 0.85 DRD2 (0.59) HTR6DRD2HTR2CDRD3HTR2A
SCHEMBL5726999 0.80 GHSR (0.55) HTR6DRD2HTR2CDRD3HTR2A
SCHEMBL5727204 0.79 DRD2 (0.49) HTR6DRD2HTR2CDRD3HTR2A

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
EP-1549639-B1 SULPHONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LTD (GB) 2006-05-24 EP claimed