SCHEMBL2464698

SCHEMBL2464698

NS(=O)(=O)CCC1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
HTR6 P50406 2/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
BCHE P06276 1/20 0.41
IDO1 P14902 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 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
SCHEMBL13293131 0.83 CA1 (0.53) CA1CA2HTR6MTNR1AMTNR1B
SCHEMBL29655195 0.78 HTR6 (0.56) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL1567620 0.78 MTNR1A (0.54) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL7379841 0.78 HTR6 (0.56) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL15882484 0.74 MTNR1A (0.55) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL17335656 0.74 MTNR1A (0.55) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL7167235 0.74 HTR6 (0.51) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL29547256 0.74 BCHE (0.56) HTR6MTNR1AMTNR1BBCHEMAOA
SCHEMBL1567623 0.74 MTNR1A (0.54) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL6248217 0.74 HTR6 (0.51) HTR6MTNR1AMTNR1BBCHEIDO1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4782252-B2 2011-09-28 JP claimed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP claimed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP claimed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO claimed