SCHEMBL1870002

SCHEMBL1870002

Nc1nc(NCCc2ccc3ccccc3c2)nc(-c2ccc(C[C@@H](N)C(=O)O)c(F)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 19/20 0.68
GPR68 Q15743 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
SCHEMBL1873079 0.88 TPH1 (0.83) TPH1
SCHEMBL1872988 0.86 TPH1 (0.70) TPH1GPR68
SCHEMBL1131298 0.83 TPH1 (0.68) TPH1
SCHEMBL3414026 0.81 TPH1 (1.00) TPH1
SCHEMBL308207 0.81 TPH1 (1.00) TPH1
SCHEMBL2733449 0.79 TPH1 (0.76) TPH1
SCHEMBL2733448 0.79 TPH1 (0.76) TPH1
SCHEMBL1869972 0.79 TPH1 (0.60) TPH1
SCHEMBL1768161 0.77 TPH1 (0.62) TPH1
SCHEMBL1877774 0.76 TPH1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496231-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF CANCER Lexicon Pharmaceuticals, Inc. (US) 2012-09-12 EP disclosed
WO-2011056916-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF CANCER LEXICON PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed