SCHEMBL1877774

SCHEMBL1877774

Nc1nc(NCCc2ccc3ccccc3c2)nc(Oc2ccc(C[C@H](N)C(=O)O)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 18/20 0.60
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.45

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 0.85 TPH1 (0.83) TPH1
SCHEMBL20274853 0.81 TPH1 (0.74) TPH1
SCHEMBL307194 0.81 TPH1 (0.74) TPH1
SCHEMBL9971076 0.81 TPH1 (0.74) TPH1
SCHEMBL3410236 0.81 TPH1 (0.74) TPH1
SCHEMBL307195 0.81 TPH1 (0.74) TPH1
SCHEMBL1872988 0.80 TPH1 (0.70) TPH1
SCHEMBL2237775 0.77 TPH1 (0.70) TPH1
SCHEMBL1129389 0.77 TPH1 (0.70) TPH1
SCHEMBL1131298 0.76 TPH1 (0.68) 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
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