SCHEMBL6234497

SCHEMBL6234497

CCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(N2CCNCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MCOLN3 Q8TDD5 1/20 0.53
DRD2 P14416 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
HTR6 P50406 16/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL6236246 0.87 HTR6 (0.53) HTR6
SCHEMBL6234522 0.86 HTR6 (0.52) DRD2ADRA1BHTR6
SCHEMBL6235201 0.84 HTR6 (0.52) HTR6
SCHEMBL6236033 0.83 HTR6 (0.52) HTR6
SCHEMBL31587937 0.82 MEN1 (0.59) HTR6
SCHEMBL32672558 0.79 HTR6 (0.58) HTR6
SCHEMBL32672532 0.78 HTR6 (0.59) HTR6
SCHEMBL31588485 0.78 HTR6 (0.53) HTR6
SCHEMBL6234462 0.77 PDE4A (0.62) HTTSMN1; SMN2HTR6
SCHEMBL6235673 0.77 PDE4A (0.62) HTTSMN1; SMN2HTR6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049679-B1 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP claimed
US-6548504-B1 Compounds SMITHKLINE BEECHAM P.L.C. (GB) 2003-04-15 US claimed
EP-1049679-B1 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6548504-B1 Compounds SMITHKLINE BEECHAM P.L.C. (GB) 2003-04-15 US disclosed