SCHEMBL6234344

SCHEMBL6234344

COc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.64
ALDH1A1 P00352 1/20 0.64
HTR6 P50406 18/20 0.56
HTR7 P34969 1/20 0.53
HTR4 Q13639 1/20 0.53

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
SCHEMBL6237445 0.85 HTR6 (0.59) HTR6HTR7HTR4
SCHEMBL6234179 0.84 ALDH1A1 (0.60) ALDH1A1HTR6HTR7HTR4
SCHEMBL6234028 0.82 HTR6 (0.56) HTR6HTR7HTR4
SCHEMBL6237285 0.81 PDE4A (0.64) ALDH1A1HTR6HTR7HTR4
SCHEMBL6235673 0.80 PDE4A (0.62) ALDH1A1HTR6
SCHEMBL6234462 0.80 PDE4A (0.62) ALDH1A1HTR6
SCHEMBL6235886 0.79 HTR6 (0.60) HTR6HTR7HTR4
Hydrochloric Acid SCHEMBL6237229 0.79 PDE4A (0.61) ALDH1A1HTR6HTR7HTR4
SCHEMBL6236589 0.78 HTR6 (0.56) HTR6HTR7HTR4
SCHEMBL6235655 0.77 HTR6 (0.63) HTR6HTR7HTR4

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 7 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
EP-1049679-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2000-11-08 EP claimed
WO-1999037623-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO 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
EP-1049679-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2000-11-08 EP disclosed
WO-1999037623-A2 SULPHONAMIDE DERIVATIVES FOR TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO disclosed