SCHEMBL6502662

SCHEMBL6502662

CC(C)Oc1cc2c(cc1S(=O)(=O)c1ccc(N3CCN(c4ccc(F)cc4)CC3)cc1)CCN(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
PKM P14618 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.42
HSD11B1 P28845 1/20 0.41
SLC6A9 P48067 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR7 P34969 2/20 0.40
SLC2A1 P11166 1/20 0.40
TSHR P16473 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
SCHEMBL3893442 0.93 HTR6 (0.49) HTR6HTR2AHTR2CDRD2DRD3
SCHEMBL6509242 0.88 MAOB (0.54) HTR6HTR2AHTR2CPKMMAOB
Hydrochloric Acid SCHEMBL6504357 0.87 MAOB (0.53) HTR6HTR2AHTR2CPKMMAOB
SCHEMBL6500345 0.85 MAPT (0.51) HTR6PKMMAOBMAPTLMNA
SCHEMBL3903162 0.81 MAOB (0.48) HTR6HTR2AHTR2CDRD2DRD3
SCHEMBL6505821 0.79 HTR6 (0.47) HTR6HTR2AHTR2CPKMMAPT
SCHEMBL6502583 0.78 LMNA (0.48) HTR6HTR2AHTR2CDRD2DRD3
SCHEMBL6510748 0.78 HTR6 (0.46) HTR6HTR2AHTR2CDRD2DRD3
SCHEMBL6500880 0.78 LMNA (0.51) HTR6DRD2DRD3PKMMAPT
SCHEMBL3894249 0.78 POLB (0.43) HTR2CPKMMAPTLMNATP53

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