SCHEMBL3952173

SCHEMBL3952173

CC(N)=NCC1CCCc2cc(S(=O)(=O)Nc3ccccc3)ccc21

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.74
PKM P14618 1/20 0.44
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 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
SCHEMBL3952171 1.00 HTR6 (0.74) HTR6PKMHTR2CHTR2B
SCHEMBL13840416 0.90 HTR6 (0.71) HTR6
SCHEMBL3904064 0.88 HTR6 (0.58) HTR6HTR2CHTR2B
SCHEMBL3904061 0.88 HTR6 (0.58) HTR6HTR2CHTR2B
SCHEMBL1697568 0.85 HTR6 (1.00) HTR6
SCHEMBL3912579 0.81 HTR6 (0.62) HTR6
SCHEMBL3902324 0.81 HTR6 (0.57) HTR6
SCHEMBL3913194 0.78 HTR6 (0.56) HTR6
SCHEMBL3913193 0.78 HTR6 (0.56) HTR6
SCHEMBL3907933 0.73 HTR6 (0.54) HTR6HTR2CHTR2B

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-2076489-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
WO-2007147762-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed