SCHEMBL5879573

SCHEMBL5879573

CN1CCN(c2cc[nH]c3ncc(S(=O)(=O)c4ccccc4)c2-3)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.52
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
DRD2 P14416 2/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
GRM5 P41594 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
DRD3 P35462 2/20 0.40
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 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
SCHEMBL5879529 0.85 CA12 (0.49) HTR6ALDH1A1L3MBTL1DRD2NPSR1
SCHEMBL4488667 0.70 HTR6 (0.57) HTR6ALDH1A1L3MBTL1CYP3A4
SCHEMBL6548713 0.69 HTR6 (0.71) HTR6ALDH1A1L3MBTL1DRD2HTR2C
SCHEMBL1136509 0.68 HTR6 (1.00) HTR6ALDH1A1L3MBTL1DRD2HTR2C
SCHEMBL4480306 0.67 HTR6 (0.51) HTR6ALDH1A1L3MBTL1DRD2HTR2C
SCHEMBL4480373 0.67 HTR6 (0.56) HTR6ALDH1A1L3MBTL1DRD2HTR2C
SCHEMBL27563317 0.66 HTR6 (0.58) HTR6ALDH1A1L3MBTL1DRD2DRD3
SCHEMBL2197288 0.65 HTR6 (0.80) HTR6ALDH1A1L3MBTL1DRD2HTR2C
SCHEMBL3950671 0.65 HTR6 (0.63) HTR6ALDH1A1L3MBTL1DRD2HTR2C
SCHEMBL15503471 0.65 HTR6 (0.80) HTR6ALDH1A1L3MBTL1DRD2HTR2C

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 3 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