SCHEMBL6504564

SCHEMBL6504564

COc1cc2c(cc1S(=O)(=O)c1ccc(N3CCN(c4ccc(Cl)cc4)CC3)cc1)CCN(C)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.54
HTR2A P28223 6/20 0.54
HTR2C P28335 6/20 0.54
DRD2 P14416 6/20 0.54
DRD3 P35462 5/20 0.54
PDE4B Q07343 1/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
LSS P48449 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HSD11B1 P28845 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL6501509 0.91 HTR6 (0.46) HTR6HTR2AHTR2CDRD2DRD3
SCHEMBL6508620 0.90 MAPT (0.49) HTR6HTR2AHTR2CDRD2DRD3
SCHEMBL6500880 0.90 LMNA (0.51) HTR6DRD2DRD3PDE4BLMNA
SCHEMBL6502583 0.90 LMNA (0.48) HTR6HTR2AHTR2CDRD2DRD3
SCHEMBL6510748 0.90 HTR6 (0.46) HTR6HTR2AHTR2CDRD2DRD3
SCHEMBL6509242 0.89 MAOB (0.54) HTR6HTR2AHTR2CLMNAMAPT
SCHEMBL6506073 0.88 LMNA (0.44) HTR6HTR2AHTR2CDRD2DRD3
Hydrochloric Acid SCHEMBL6504357 0.88 MAOB (0.53) HTR6HTR2AHTR2CLMNAMAPT
SCHEMBL6507562 0.86 MAPT (0.57) HTR6DRD2LMNAMAPTHTR1A
SCHEMBL6508601 0.86 TNF (0.48) LMNAMAPTTSHRGAA

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
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO claimed
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed