SCHEMBL6500166

SCHEMBL6500166

COc1cc2c(cc1S(=O)(=O)c1ccc(N3CCN(c4ccccc4C)CC3)cc1)CCN(C)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HTR6 P50406 5/20 0.42
DRD3 P35462 3/20 0.42
DRD2 P14416 2/20 0.42
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HSD11B1 P28845 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
LMNA P02545 3/20 0.40

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
SCHEMBL6511504 0.92 DRD2 (0.52) HTR1ADRD3DRD2MMP2MMP13
SCHEMBL6506073 0.90 LMNA (0.44) HTR1AHTR1DHTR1BHTR6DRD3
SCHEMBL6502583 0.89 LMNA (0.48) HTR6DRD3DRD2DRD1DRD4
SCHEMBL6500224 0.89 ALDH1A1 (0.50) HTR1AHTR1DHTR1BHTR6DRD3
SCHEMBL6510748 0.87 HTR6 (0.46) HTR6DRD3DRD2HSD11B1MCOLN3
SCHEMBL6501982 0.85 DRD2 (0.47) HTR1AHTR1DHTR1BHTR6DRD3
SCHEMBL6500880 0.85 LMNA (0.51) PDE4BPDE4DHTR6DRD3DRD2
SCHEMBL6509242 0.84 MAOB (0.54) HTR1AHTR1DHTR1BHTR6HSD11B1
SCHEMBL6504564 0.84 HTR6 (0.54) HTR1AHTR1DHTR1BCRHBPCRHR2
SCHEMBL6507562 0.83 MAPT (0.57) HTR1AHTR1DHTR1BHTR6DRD2

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