SCHEMBL6237285

SCHEMBL6237285

COc1ccc(S(=O)(=O)NC2CCCC2)cc1N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.64
PDE4B Q07343 1/20 0.64
PDE4C Q08493 1/20 0.64
PDE4D Q08499 1/20 0.64
HTR6 P50406 14/20 0.62
POLB P06746 2/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 1/20 0.60
KMT2A Q03164 1/20 0.59
HTR7 P34969 1/20 0.59
HTR4 Q13639 1/20 0.59

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
SCHEMBL6234462 0.99 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL6235673 0.99 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DHTR6
Hydrochloric Acid SCHEMBL6237229 0.98 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL6235886 0.91 HTR6 (0.60) HTR6HTR7HTR4
SCHEMBL6236589 0.90 HTR6 (0.56) HTR6HTR7HTR4
SCHEMBL6233388 0.88 HTR6 (0.57) HTR6HTR7HTR4
SCHEMBL6234179 0.87 ALDH1A1 (0.60) HTR6ALDH1A1HTR7HTR4
SCHEMBL6235655 0.87 HTR6 (0.63) HTR6HTR7HTR4
SCHEMBL6234992 0.84 HTR6 (0.58) HTR6HTR7HTR4
SCHEMBL6238497 0.84 HTR6 (0.58) 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 8 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-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