SCHEMBL6964528

SCHEMBL6964528

O=S(=O)(c1cccc2ccccc12)N1CCCCC1CCO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.69
HTR1A P08908 8/20 0.69
DRD2 P14416 8/20 0.69
HTR1D P28221 3/20 0.69
HTR2B P41595 3/20 0.69
DRD3 P35462 2/20 0.69
HTR2A P28223 7/20 0.64
HTR1B P28222 1/20 0.64
HTR2C P28335 1/20 0.64
ADRA1B P35368 1/20 0.64
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CNR1 P21554 2/20 0.52
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR6 P50406 6/20 0.49
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47

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
SCHEMBL3825266 0.88 HTR7 (0.69) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL8308503 0.86 HTR7 (0.84) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL699980 0.85 HTR7 (0.63) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL6920929 0.85 HTR7 (0.65) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3825498 0.82 HTR7 (1.00) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL701567 0.82 HTR7 (0.62) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL7967497 0.80 HTR7 (0.74) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL5132145 0.80 HTR7 (0.57) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3827869 0.78 HTR7 (1.00) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL4296293 0.78 HTR7 (1.00) HTR7HTR1ADRD2HTR1DHTR2B

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-0912512-B1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2003-04-02 EP disclosed
US-6265408-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANT SMITHKLINE BEECHAM PLC (GB) 2001-07-24 US disclosed
US-6025367-A Sulfonamide derivatives as 5HT7 receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2000-02-15 US disclosed
EP-0912550-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
EP-0912512-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
WO-1997049695-A1 SULFONAMIDE DERIVATIVES AS 5HT7 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-31 WO disclosed
WO-1997048681-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed