SCHEMBL20274801

SCHEMBL20274801

Nc1nc(N)nc(-c2ccc(CC(N)C(=O)O)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 19/20 0.70
SLC7A5 Q01650 1/20 0.56

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
Benzoguanamine SCHEMBL21351508 0.91 TPH1 (0.71) TPH1SLC7A5
SCHEMBL837014 0.81 SLC7A5 (0.74) TPH1SLC7A5
SCHEMBL156189 0.81 SLC7A5 (0.74) TPH1SLC7A5
SCHEMBL309002 0.81 TPH1 (1.00) TPH1
SCHEMBL20274857 0.80 TPH1 (0.60) TPH1
SCHEMBL12159891 0.80 TPH1 (0.62) TPH1SLC7A5
SCHEMBL20274810 0.80 TPH1 (0.59) TPH1SLC7A5
SCHEMBL31369650 0.79 SLC7A5 (0.61) TPH1SLC7A5
SCHEMBL26966009 0.79 SLC7A5 (0.61) TPH1SLC7A5
SCHEMBL25868363 0.79 SLC7A5 (0.66) TPH1SLC7A5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed