SCHEMBL4411672

SCHEMBL4411672

Nc1nc(OC(c2ccc(F)cc2OCC2CC2)C(F)(F)F)cc(-c2ccc(CC(N)C(=O)O)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.65
TPH2 Q8IWU9 11/20 0.65
ADORA3 P0DMS8 2/20 0.56
SLC6A2 P23975 2/20 0.56
AGTR1 P30556 2/20 0.56
SLC6A4 P31645 2/20 0.56
CCKAR P32238 2/20 0.56
SLC6A3 Q01959 2/20 0.56
F2 P00734 1/20 0.56
ESR1 P03372 1/20 0.56
DRD1 P21728 1/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
DRD3 P35462 1/20 0.56
MLNR O43193 1/20 0.48
NR3C1 P04150 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
MC3R P41968 1/20 0.48
HTR3A P46098 1/20 0.48

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
SCHEMBL870867 1.00 TPH1 (0.65) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL870447 0.89 TPH1 (0.63) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL27726665 0.89 TPH1 (0.63) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL869064 0.89 TPH1 (0.51) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL27726672 0.89 TPH1 (0.51) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL27892907 0.89 TPH1 (0.62) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL870692 0.89 TPH1 (0.62) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL870448 0.85 TPH1 (0.70) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL871059 0.83 TPH1 (0.85) TPH1TPH2ADORA3SLC6A2AGTR1
SCHEMBL2724956 0.83 TPH1 (0.85) TPH1TPH2ADORA3SLC6A2AGTR1

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
JP-2009522265-A 2009-06-11 JP claimed
CN-101351451-A Polycyclic amino acid derivatives and methods of use thereof LEXICON GENETICS INC (US) 2009-01-21 CN 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
CN-101351451-B Polycyclic amino acid derivatives and methods of use thereof LEXICON PHARMACEUTICALS INC 2013-02-20 CN disclosed
CN-102711757-A Methods and assays for treating irritable bowel syndrome LEXICON PHARMACEUTICALS INC 2012-10-03 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
CN-101351451-A Polycyclic amino acid derivatives and methods of use thereof LEXICON GENETICS INC (US) 2009-01-21 CN disclosed