SCHEMBL7413690

SCHEMBL7413690

COc1ccc(C(N)=O)cc1N1CCN(CC2CC2)CC1.Cc1c(S(=O)(=O)O)sc2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.51
ADRA1B P35368 7/20 0.51
HTR1A P08908 6/20 0.51
DRD2 P14416 6/20 0.51
HTR1D P28221 6/20 0.51
HTR1B P28222 6/20 0.51
DRD3 P35462 6/20 0.51
HTR2C P28335 5/20 0.51
HTR7 P34969 5/20 0.51
HTR4 Q13639 5/20 0.51
HTR2A P28223 5/20 0.51
HTR2B P41595 5/20 0.51
HTR1E P28566 3/20 0.51
HTR1F P30939 3/20 0.51
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
CYP1A2 P05177 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48

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
SCHEMBL7413695 0.90 HTR6 (0.53) HTR6ADRA1BHTR1ADRD2HTR1D
SCHEMBL7197257 0.81 HTR6 (0.77) HTR6ADRA1BHTR1ADRD2HTR1D
SCHEMBL7035600 0.80 OPRK1 (0.49) ADRA1BHTR1ADRD2HTR1DHTR2C
SCHEMBL7200247 0.69 HTR6 (0.77) HTR6ADRA1BHTR1ADRD2HTR1D
SCHEMBL2226181 0.69 NPSR1 (0.60) CMA1
SCHEMBL13698528 0.68 DRD2 (0.59) ADRA1BHTR1ADRD2DRD4OPRM1
SCHEMBL1136525 0.68 HTR6 (1.00) HTR6ADRA1BHTR1ADRD2HTR1D
SCHEMBL29496144 0.68 HTR6 (1.00) HTR6ADRA1BHTR1ADRD2HTR1D
Hydrochloric Acid SCHEMBL6712744 0.68 NPSR1 (0.59) CMA1
SCHEMBL7200046 0.67 HTR6 (0.76) HTR6ADRA1BHTR1ADRD2HTR1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP claimed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO claimed