SCHEMBL5879549

SCHEMBL5879549

O=S(=O)(c1ccccc1)c1cnc2[nH]cc(N3CCNCC3)cc1-2

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.54
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 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
SCHEMBL5879514 0.88 DRD2 (0.46) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL5879490 0.84 DRD2 (0.49) HTR6DRD2
SCHEMBL5879489 0.83 DRD2 (0.47) HTR6DRD2HTR7
SCHEMBL4494776 0.76 HTR6 (0.58) HTR6
SCHEMBL3322151 0.72 HTR6 (0.68) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL6549793 0.72 HTR6 (0.62) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL5201164 0.71 HTR6 (0.62) HTR6
SCHEMBL3378968 0.71 HTR6 (0.62) HTR6
SCHEMBL4573254 0.71 HTR6 (1.00) HTR6
Hydrochloric Acid SCHEMBL5205751 0.71 HTR6 (0.63) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006517966-A 2006-08-03 JP claimed
EP-1592690-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-11-09 EP claimed
WO-2004074286-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-09-02 WO claimed
EP-1592690-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-11-09 EP disclosed
WO-2004074286-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-09-02 WO disclosed