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SCHEMBL31547378

SCHEMBL31547378

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.72
▸ NPY4R P50391 8/20 0.72
▸ NPY5R Q15761 8/20 0.72
▸ NPY1R P25929 6/20 0.72
▸ C5AR1 P21730 1/20 0.69
▸ GLP1R P43220 9/20 0.68
▸ KEAP1 Q14145 1/20 0.63

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
SCHEMBL31402805 0.98 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL31547375 0.95 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL31402801 0.94 C5AR1 (0.71) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL31547374 0.93 GLP1R (0.70) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL31402803 0.93 GLP1R (0.69) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30658209 0.92 NPY1R (0.73) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL31182646 0.91 NPY2R (0.74) NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30646306 0.91 NPY1R (0.72) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL30495629 0.90 NPY1R (0.69) NPY2RNPY4RNPY5RNPY1RC5AR1
SCHEMBL29991271 0.90 GLP1R (0.73) NPY2RNPY4RNPY5RNPY1RC5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119735644-A Small molecular peptide composition for promoting production of natural bezoar and application thereof 北京知筹科技有限公司 2025-04-01 — — CN claimed
CN-119735644-A Small molecular peptide composition for promoting production of natural bezoar and application thereof 北京知筹科技有限公司 2025-04-01 — — CN disclosed
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