SCHEMBL2236024

SCHEMBL2236024

Cc1cccc(-c2ccccc2C(Oc2nc(N)nc(-c3ccc(CC(N)C(=O)O)cc3)n2)C(F)(F)F)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.75
TPH2 Q8IWU9 8/20 0.75

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
SCHEMBL309502 1.00 TPH1 (0.75) TPH1TPH2
SCHEMBL3811509 0.92 TPH1 (0.71) TPH1TPH2
SCHEMBL20274836 0.92 TPH1 (0.71) TPH1TPH2
SCHEMBL307138 0.92 TPH1 (0.71) TPH1TPH2
SCHEMBL307137 0.92 TPH1 (0.71) TPH1TPH2
SCHEMBL9967951 0.92 TPH1 (0.71) TPH1TPH2
SCHEMBL869857 0.91 TPH1 (0.66) TPH1TPH2
SCHEMBL869738 0.88 TPH1 (0.73) TPH1TPH2
SCHEMBL308221 0.86 TPH1 (1.00) TPH1TPH2
SCHEMBL869740 0.82 TPH1 (0.83) TPH1TPH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed
EP-1984344-B1 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2012-09-26 EP disclosed
WO-2011100285-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2011-08-18 WO disclosed
EP-2178536-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN Lexicon Pharmaceuticals, Inc. (US) 2010-04-28 EP disclosed
EP-2170306-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS Lexicon Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
EP-2170397-A1 METHODS AND COMPOSITIONS FOR TREATING PULMONARY HYPERTENSION AND RELATED DISEASES AND DISORDERS Lexicon Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
EP-2170335-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS Lexicon Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
WO-2009014972-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009009561-A1 METHODS AND COMPOSITIONS FOR TREATING PULMONARY HYPERTENSION AND RELATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2009-01-15 WO disclosed
WO-2009002964-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
WO-2009002970-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed