SCHEMBL4412449

SCHEMBL4412449

CN1CCOc2ccc3c(ccn3S(=O)(=O)c3ccc4ccccc4c3)c2C1S(=O)(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.47
PKM P14618 3/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCOLN3 Q8TDD5 3/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36

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
SCHEMBL4412445 0.80 HTR6 (0.48) HTR6PKMTSHRMEN1KMT2A
SCHEMBL1996812 0.78 HTR6 (0.48) HTR6PKMTSHRMEN1KMT2A
SCHEMBL1995765 0.76 HTR6 (0.48) HTR6DRD2DRD3
SCHEMBL4413035 0.74 HTR6 (0.51) HTR6DRD2DRD3
SCHEMBL1995160 0.73 HTR6 (0.46) HTR6DRD2DRD3
SCHEMBL1993429 0.71 HTR6 (0.54) HTR6PKMTSHRMEN1KMT2A
Trifluoroacetic Acid SCHEMBL1996241 0.70 HTR6 (0.43) HTR6DRD2DRD3
SCHEMBL1997460 0.69 HTR6 (0.41) HTR6DRD2DRD3
SCHEMBL1999661 0.67 HTR6 (0.46) HTR6DRD2DRD3
SCHEMBL4412448 0.67 HTR6 (0.42) HTR6PKMTSHRMEN1KMT2A

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-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 WO disclosed