SCHEMBL1018308

SCHEMBL1018308

CCS(=O)(=O)N1CCC(c2ccc(S(=O)(=O)c3cccc(F)c3)cc2OC)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR6 P50406 16/20 0.43
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 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
SCHEMBL1018307 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1GFERKMT2AHTR6
SCHEMBL1012769 0.91 PDE4B (0.47) SMN1; SMN2MEN1GFERKMT2AHTR6
SCHEMBL1012768 0.91 PDE4B (0.47) SMN1; SMN2MEN1GFERKMT2AHTR6
SCHEMBL1012906 0.81 PDE4B (0.47) HTR6DRD2ADRA1DADRA1AADRA1B
SCHEMBL1012808 0.79 PDE4B (0.51) HTR6
SCHEMBL1012382 0.79 PDE4B (0.51) HTR6
SCHEMBL1012384 0.79 PDE4B (0.51) HTR6
SCHEMBL1014637 0.76 HTR6 (0.53) HTR6
SCHEMBL1015288 0.76 HTR6 (0.53) HTR6
SCHEMBL1014636 0.76 HTR6 (0.53) HTR6

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-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed