SCHEMBL18699889

SCHEMBL18699889

CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 19/20 0.61
▸ NPY1R P25929 11/20 0.61
▸ NPY5R Q15761 10/20 0.61
▸ NPY2R P49146 7/20 0.61

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
SCHEMBL22374931 0.89 QRFPR (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL22374927 0.89 QRFPR (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL11209257 0.88 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29442111 0.88 NPY4R (0.69) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29442083 0.86 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2R
SCHEMBL22374954 0.86 TFPI (0.55) —
SCHEMBL29442105 0.85 TFPI (0.61) NPY4RNPY1RNPY5RNPY2R
SCHEMBL8741197 0.84 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2R
SCHEMBL9141613 0.84 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL22375051 0.83 QRFPR (0.51) NPY4RNPY1RNPY5RNPY2R

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
US-9611293-B2 Synthesis of beta-arrestin effectors TREVENA, INC. (US) 2017-04-04 — — US disclosed
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