SCHEMBL31281584

SCHEMBL31281584

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 4/20 0.48
▸ NPY1R P25929 3/20 0.48
▸ NPY2R P49146 3/20 0.48
▸ NTSR2 O95665 2/20 0.44
▸ NTSR1 P30989 2/20 0.44
▸ ENPEP Q07075 3/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ LNPEP Q9UIQ6 1/20 0.43
▸ NPY5R Q15761 2/20 0.41

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
SCHEMBL4906337 0.94 NPY1R (0.50) NPY4RNPY1RNPY2RNTSR2NTSR1
SCHEMBL4906380 0.94 NPY1R (0.50) NPY4RNPY1RNPY2RNTSR2NTSR1
SCHEMBL30575101 0.92 NPY1R (0.49) NPY4RNPY1RNPY2RNTSR2NTSR1
SCHEMBL31109167 0.92 ENPEP (0.47) NPY4RNPY1RNPY2RENPEP
SCHEMBL30751947 0.91 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30773912 0.91 BACE1 (0.45) NPY4RNPY1RNPY2R
SCHEMBL30592737 0.91 NPY1R (0.49) NPY4RNPY1RNPY2RERAP2LNPEP
SCHEMBL29540123 0.91 NPY1R (0.49) NPY4RNPY1RNPY2RERAP2LNPEP
SCHEMBL30081066 0.91 NPY1R (0.49) NPY4RNPY1RNPY2RERAP2LNPEP
SCHEMBL30309257 0.90 LNPEP (0.52) NPY4RNPY1RNPY2RNTSR2NTSR1

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
CN-119162137-A Ketone reductase mutant and application thereof in preparation of (R) -3-iodocyclopent-2-en-1-ol 常州合全药业有限公司 2024-12-20 — — CN disclosed
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