SCHEMBL5879489

SCHEMBL5879489

CCCN1CCN(c2c[nH]c3ncc(S(=O)(=O)c4ccccc4)c-3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.47
DRD3 P35462 5/20 0.46
SIGMAR1 Q99720 1/20 0.45
HTR6 P50406 7/20 0.45
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
GRM5 P41594 1/20 0.39

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
SCHEMBL5879493 0.88 HTR6 (0.43) DRD2DRD3SIGMAR1HTR6THRB
SCHEMBL5879490 0.87 DRD2 (0.49) DRD2DRD3HTR6THRBLMNA
SCHEMBL5879549 0.83 HTR6 (0.54) DRD2HTR6HTR7
SCHEMBL4483917 0.79 HTR6 (0.48) DRD2DRD3SIGMAR1HTR6THRB
SCHEMBL5879514 0.72 DRD2 (0.46) DRD2DRD3HTR6HTR7GRM5
SCHEMBL4490838 0.71 SLC6A2 (0.52) DRD2HTR6ALDH1A1L3MBTL1HTR2C
SCHEMBL4480245 0.70 HTR6 (0.49) DRD2DRD3SIGMAR1HTR6HTR2C
SCHEMBL5203323 0.69 HTR6 (0.80) DRD2DRD3HTR6HTR2C
SCHEMBL3949549 0.69 DRD3 (0.53) DRD2DRD3SIGMAR1HTR6HTR2C
SCHEMBL3956467 0.69 HTR6 (0.53) DRD2DRD3SIGMAR1HTR6HTR2C

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