SCHEMBL1869972

SCHEMBL1869972

Nc1nc(NCCc2ccc3cc(F)cc(F)c3c2)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.60

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 0.84 TPH1 (0.83) TPH1
SCHEMBL12521807 0.82 TPH1 (0.73) TPH1
SCHEMBL309178 0.82 TPH1 (0.73) TPH1
SCHEMBL1870002 0.79 TPH1 (0.68) TPH1
SCHEMBL1872988 0.76 TPH1 (0.70) TPH1
SCHEMBL869852 0.76 TPH1 (0.81) TPH1
SCHEMBL869853 0.76 TPH1 (0.81) TPH1
SCHEMBL1869970 0.76 TPH1 (0.51) TPH1
SCHEMBL2733449 0.75 TPH1 (0.76) TPH1
SCHEMBL2733448 0.75 TPH1 (0.76) 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