SCHEMBL1768157

SCHEMBL1768157

CCN(c1ccc2ccccc2c1)c1cc(-c2ccc(C[C@H](N)C(=O)O)cc2)nc(C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.49
TPH2 Q8IWU9 5/20 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
SCHEMBL1129387 0.87 TPH1 (0.58) TPH1TPH2
SCHEMBL1768159 0.80 TPH1 (0.53) TPH1
SCHEMBL871149 0.75 TPH1 (0.77) TPH1TPH2
SCHEMBL871148 0.75 TPH1 (0.77) TPH1TPH2
SCHEMBL27726662 0.75 TPH1 (0.77) TPH1TPH2
SCHEMBL1768158 0.75 TPH1 (0.55) TPH1
SCHEMBL1873078 0.75 TPH1 (0.67) TPH1
SCHEMBL1880942 0.74 TPH1 (0.49) TPH1
SCHEMBL1129122 0.74 TPH1 (0.49) TPH1
SCHEMBL308165 0.72 TPH1 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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