SCHEMBL6185504

SCHEMBL6185504

COc1ccc(S(=O)(=O)N2CCc3ccc(OC)c(OC)c3C2)cc1N1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.60
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 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
Hydrochloric Acid SCHEMBL6188558 0.99 HTR6 (0.59) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
SCHEMBL6186233 0.91 HTR6 (0.59) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
SCHEMBL6187107 0.89 HTR6 (0.65) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
SCHEMBL6185622 0.89 HTR6 (0.59) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
SCHEMBL6186315 0.87 HTR6 (0.78) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
SCHEMBL6186037 0.87 HTR6 (0.65) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL6187379 0.86 HTR6 (0.64) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL6187759 0.86 HTR6 (0.77) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
SCHEMBL6186320 0.85 HTR6 (0.82) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
SCHEMBL6186158 0.85 PKM (0.65) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1

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-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP claimed
EP-0994862-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2000-04-26 EP claimed
WO-1999002502-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-01-21 WO claimed
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6316450-B1 PIPERAZINE COMPOUNDS FOR TREATING DEPRESSION AND ANXIETY SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-13 US disclosed
EP-0994862-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2000-04-26 EP disclosed
WO-1999002502-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-01-21 WO disclosed