SCHEMBL31402801

SCHEMBL31402801

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[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)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.71
▸ GLP1R P43220 16/20 0.71
▸ NPY1R P25929 1/20 0.70
▸ NPY2R P49146 1/20 0.70
▸ NPY4R P50391 1/20 0.70
▸ NPY5R Q15761 1/20 0.70
▸ CCKBR P32239 2/20 0.64
▸ GCGR P47871 3/20 0.64

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
SCHEMBL31547375 0.99 NPY2R (0.71) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL31547378 0.94 NPY2R (0.72) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL31547374 0.94 GLP1R (0.70) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL31402805 0.93 NPY2R (0.71) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL31402803 0.93 GLP1R (0.69) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30658246 0.93 GLP1R (0.79) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30658209 0.92 NPY1R (0.73) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL31182592 0.92 C5AR1 (0.68) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30658220 0.92 GLP1R (0.72) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30692442 0.92 NPY1R (0.71) C5AR1GLP1RNPY1RNPY2RNPY4R

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-119751590-A Small molecule peptide composition for promoting natural bezoar production by plant source 北京知筹科技有限公司 2025-04-04 — — CN claimed
CN-119751590-A Small molecule peptide composition for promoting natural bezoar production by plant source 北京知筹科技有限公司 2025-04-04 — — CN disclosed
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