SCHEMBL3412957

SCHEMBL3412957

CCN(c1ccc2ccccc2c1)c1nc(N)nc(-c2ccn(CC(N)C(=O)O)n2)n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 16/20 0.61
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL1873078 0.78 TPH1 (0.67) TPH1
SCHEMBL1872985 0.78 TPH1 (0.56) TPH1
SCHEMBL20274812 0.77 TPH1 (0.61) TPH1
SCHEMBL309189 0.76 TPH1 (1.00) TPH1
SCHEMBL309188 0.76 TPH1 (1.00) TPH1
SCHEMBL320652 0.76 TPH1 (1.00) TPH1
SCHEMBL1131296 0.75 TPH1 (0.61) TPH1
SCHEMBL27809408 0.75 TPH1 (0.61) TPH1
SCHEMBL1869997 0.75 TPH1 (0.61) TPH1
SCHEMBL3412961 0.74 TPH1 (0.70) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010062829-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR TREATING OSTEOPOROSIS LEXICON PHARMACEUTICALS, INC. (US) 2010-06-03 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-2170335-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS Lexicon Pharmaceuticals, Inc. (US) 2010-04-07 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
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-2009002970-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
WO-2009002964-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed