SCHEMBL1768161

SCHEMBL1768161

Nc1cc(NCCc2ccc3ccccc3c2)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.62

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
SCHEMBL1873079 0.84 TPH1 (0.83) TPH1
SCHEMBL1129389 0.84 TPH1 (0.70) TPH1
SCHEMBL2237775 0.84 TPH1 (0.70) TPH1
SCHEMBL870567 0.83 TPH1 (0.74) TPH1
SCHEMBL870566 0.83 TPH1 (0.74) TPH1
SCHEMBL1768158 0.79 TPH1 (0.55) TPH1
SCHEMBL1880944 0.78 TPH1 (0.55) TPH1
SCHEMBL1129126 0.78 TPH1 (0.55) TPH1
SCHEMBL1870002 0.77 TPH1 (0.68) TPH1
SCHEMBL1872988 0.76 TPH1 (0.70) TPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009522265-A 2009-06-11 JP claimed
EP-1984344-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-10-29 EP claimed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 WO claimed
WO-2014082034-A1 METHODS FOR TREATING IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
EP-2504008-A1 METHODS AND ASSAYS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Lexicon Pharmaceuticals, Inc. (US) 2012-10-03 EP disclosed
WO-2011063181-A1 METHODS AND ASSAYS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed