SCHEMBL27808903

SCHEMBL27808903

Cc1ccc(-c2ccccc2)c(CNc2cnc(-c3ccc(CC(N)C(=O)O)cc3)cn2)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 16/20 0.71
ITGB3 P05106 3/20 0.42
ITGB1 P05556 3/20 0.42
ITGAV P06756 3/20 0.42
ITGA2B P08514 3/20 0.42
ITGA5 P08648 3/20 0.42
WNT3A P56704 1/20 0.42
ITGB5 P18084 1/20 0.41

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
SCHEMBL308479 0.91 TPH1 (0.83) TPH1
SCHEMBL308480 0.91 TPH1 (0.83) TPH1
SCHEMBL870470 0.89 TPH1 (0.82) TPH1
SCHEMBL870471 0.89 TPH1 (0.82) TPH1
SCHEMBL308642 0.83 TPH1 (1.00) TPH1
SCHEMBL308641 0.83 TPH1 (1.00) TPH1
SCHEMBL871411 0.80 TPH1 (0.74) TPH1
SCHEMBL871412 0.80 TPH1 (0.74) TPH1
SCHEMBL308166 0.79 TPH1 (1.00) TPH1
SCHEMBL308167 0.79 TPH1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083454-A Methods for diagnosing, preventing and treating bone mass disorders UNIV COLUMBIA 2011-06-01 CN disclosed
CN-101969952-A Compositions comprising tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS INC 2011-02-09 CN disclosed
CN-101815534-A methods and compositions for treating pulmonary hypertension and related diseases and disorders LEXICON PHARMACEUTICALS INC 2010-08-25 CN disclosed
CN-101801385-A Methods of affecting gastrointestinal transit and gastric emptying, and compounds useful therein LEXICON PHARMACEUTICALS INC 2010-08-11 CN disclosed
CN-101784269-A methods of treating serotonin-mediated diseases and disorders LEXICON PHARMACEUTICALS INC 2010-07-21 CN disclosed