SCHEMBL6187316

SCHEMBL6187316

COc1ccccc1N1CCN(C)CC1.O=S(=O)(Cl)Cl

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.81
DRD3 P35462 4/20 0.81
GAA P10253 1/20 0.61
GFER P55789 1/20 0.61
ALDH1A1 P00352 2/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
DRD4 P21917 1/20 0.56
HRH2 P25021 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
LMNA P02545 4/20 0.56
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 2/20 0.56
USP2 O75604 1/20 0.56
GLA P06280 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MCOLN2 Q8IZK6 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
MCOLN1 Q9GZU1 1/20 0.56

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
SCHEMBL327835 0.90 DRD2 (1.00) DRD2DRD3GAAGFERALDH1A1
Hydrochloric Acid SCHEMBL8576226 0.89 DRD2 (0.96) DRD2DRD3GAAGFERALDH1A1
SCHEMBL3418188 0.84 DRD2 (0.87) DRD2DRD3GAAGFERALDH1A1
SCHEMBL5457650 0.82 DRD2 (0.77) DRD2DRD3ALDH1A1POLBLMNA
SCHEMBL2966619 0.79 GAA (0.71) DRD2DRD3GAAGFERALDH1A1
SCHEMBL2155668 0.79 GAA (0.71) DRD2DRD3GAAGFERALDH1A1
SCHEMBL3399759 0.78 DRD2 (0.71) DRD2DRD3GAAGFERALDH1A1
Hydrochloric Acid SCHEMBL5502387 0.78 GAA (0.69) DRD2DRD3GAAGFERALDH1A1
SCHEMBL6187320 0.78 HTR6 (0.58) DRD2DRD3ALDH1A1HTR6KMT2A
SCHEMBL24310707 0.78 DRD2 (0.70) DRD2DRD3ALDH1A1DRD4HRH2

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-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