SCHEMBL8308503

SCHEMBL8308503

O=S(=O)(c1cccc2ccccc12)N1CCCCC1CCN1CCCCC1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 20/20 0.84
HTR1A P08908 17/20 0.84
DRD2 P14416 17/20 0.84
HTR1D P28221 3/20 0.84
HTR2B P41595 3/20 0.84
DRD3 P35462 2/20 0.84
HTR2A P28223 16/20 0.78
HTR1B P28222 1/20 0.78
HTR2C P28335 1/20 0.78
ADRA1B P35368 1/20 0.78
HTR6 P50406 15/20 0.60
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SLC6A4 P31645 1/20 0.54

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
SCHEMBL3825498 0.91 HTR7 (1.00) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL7967497 0.89 HTR7 (0.74) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3827869 0.88 HTR7 (1.00) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL4296293 0.88 HTR7 (1.00) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3825266 0.86 HTR7 (0.69) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL6964528 0.86 HTR7 (0.69) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL6971695 0.85 HTR7 (0.68) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL6920929 0.83 HTR7 (0.65) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL8177201 0.81 HTR7 (0.64) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL699980 0.81 HTR7 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912512-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP claimed
WO-1997048681-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO claimed
EP-0912512-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
WO-1997048681-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed