SCHEMBL12694100

SCHEMBL12694100

C[C@@H](Nc1nc(N)nc(-c2ccc(CCC(=O)O)cc2)n1)c1ccc2ccccc2c1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 20/20 0.78

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
SCHEMBL14969125 0.88 TPH1 (1.00) TPH1
SCHEMBL308509 0.88 TPH1 (1.00) TPH1
SCHEMBL3408238 0.88 TPH1 (1.00) TPH1
SCHEMBL14969126 0.88 TPH1 (1.00) TPH1
SCHEMBL308510 0.88 TPH1 (1.00) TPH1
SCHEMBL870382 0.84 TPH1 (0.76) TPH1
SCHEMBL870383 0.84 TPH1 (0.76) TPH1
SCHEMBL28773704 0.82 TPH1 (0.75) TPH1
SCHEMBL3409703 0.79 TPH1 (0.83) TPH1
SCHEMBL307877 0.79 TPH1 (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984344-B1 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2012-09-26 EP disclosed