SCHEMBL1768158

SCHEMBL1768158

N[C@@H](Cc1ccc(-c2cc(NCCc3ccc4ccccc4c3)nc(C(F)(F)F)n2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 18/20 0.55
▸ SLC7A11 Q9UPY5 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
SCHEMBL2237775 0.87 TPH1 (0.70) TPH1
SCHEMBL1129389 0.87 TPH1 (0.70) TPH1
SCHEMBL871148 0.84 TPH1 (0.77) TPH1
SCHEMBL27726662 0.84 TPH1 (0.77) TPH1
SCHEMBL871149 0.84 TPH1 (0.77) TPH1
SCHEMBL1768161 0.79 TPH1 (0.62) TPH1
SCHEMBL1768157 0.75 TPH1 (0.49) TPH1
SCHEMBL1873079 0.74 TPH1 (0.83) TPH1
SCHEMBL1129126 0.73 TPH1 (0.55) TPH1
SCHEMBL1880944 0.73 TPH1 (0.55) 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
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