SCHEMBL31474484

SCHEMBL31474484

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.46
▸ NPY1R P25929 7/20 0.46
▸ NPY2R P49146 5/20 0.46
▸ NPY5R Q15761 5/20 0.46
▸ C5AR1 P21730 1/20 0.38
▸ KEAP1 Q14145 1/20 0.36
▸ GLP1R P43220 1/20 0.36
▸ SCTR P47872 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ APLNR P35414 1/20 0.36

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
SCHEMBL30645268 0.91 C5AR1 (0.42) NPY4RNPY1RNPY2RNPY5RC5AR1
SCHEMBL31453827 0.90 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RC5AR1
SCHEMBL38660264 0.90 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RC5AR1
SCHEMBL31165493 0.89 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RC5AR1
SCHEMBL31453796 0.89 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RC5AR1
SCHEMBL30062696 0.89 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5RAPLNR
SCHEMBL30216223 0.88 APLNR (0.41) NPY4RNPY1RNPY2RNPY5RAPLNR
SCHEMBL29736425 0.88 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RC5AR1
SCHEMBL31088231 0.88 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RC5AR1
SCHEMBL4957131 0.88 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RC5AR1

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-119827684-A Beijing white pear origin identification method based on metabonomics technology 北京市农林科学院 2025-04-15 — — CN disclosed
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