SCHEMBL4021085

SCHEMBL4021085

[CH2]c1c(OCC)ccc2c1ccn2S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.54
BCHE P06276 2/20 0.47
DRD3 P35462 4/20 0.46
DRD2 P14416 3/20 0.46
HTR1A P08908 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
HTR1F P30939 2/20 0.46
HTR7 P34969 2/20 0.46

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
SCHEMBL13504541 0.86 TSHR (0.48) HTR6
SCHEMBL4021090 0.86 HTR6 (0.55) HTR6BCHEDRD3DRD2HTR1A
SCHEMBL4018793 0.86 HTR6 (0.69) HTR6DRD3DRD2HTR1AHTR1D
SCHEMBL3622623 0.81 HTR6 (0.52) HTR6BCHEDRD3DRD2HTR1A
SCHEMBL3619679 0.76 HTR6 (0.61) HTR6DRD3DRD2
Trifluoroacetic Acid SCHEMBL3621025 0.74 HTR6 (0.46) HTR6BCHEDRD3DRD2HTR1A
SCHEMBL2086144 0.74 HTR6 (0.71) HTR6DRD3DRD2HTR1AHTR1D
SCHEMBL4018797 0.74 HTR6 (0.71) HTR6DRD3DRD2HTR1AHTR1D
SCHEMBL13504542 0.73 TSHR (0.49) HTR6DRD2HTR7
SCHEMBL3621334 0.73 HTR6 (0.69) HTR6DRD3DRD2HTR1AHTR1D

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
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP claimed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO claimed