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SCHEMBL31083828

SCHEMBL31083828

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

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 5/20 0.70
▸ GCGR P47871 3/20 0.70
▸ NMBR P28336 2/20 0.69
▸ GRPR P30550 2/20 0.69
▸ CTSL P07711 3/20 0.64
▸ CTSS P25774 3/20 0.64
▸ CTSK P43235 3/20 0.64
▸ CTSH P09668 1/20 0.62
▸ C5AR1 P21730 1/20 0.62
▸ CALCA P06881 2/20 0.61
▸ NPY1R P25929 1/20 0.61
▸ NPY2R P49146 1/20 0.61
▸ NPY4R P50391 1/20 0.61
▸ NPY5R Q15761 1/20 0.61
▸ CALCR P30988 1/20 0.61
▸ KEAP1 Q14145 1/20 0.60
▸ IL23R Q5VWK5 1/20 0.60

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
SCHEMBL29366899 1.00 GLP1R (0.70) GLP1RGCGRNMBRGRPRCTSL
SCHEMBL29462210 0.94 NMBR (0.77) GLP1RGCGRNMBRGRPRC5AR1
SCHEMBL29367990 0.94 CALCA (0.69) GLP1RGCGRGRPRCALCANPY1R
SCHEMBL23273229 0.93 NMBR (0.69) GLP1RGCGRNMBRGRPRCTSL
SCHEMBL30932062 0.89 GLP1R (0.74) GLP1RGCGRNMBRGRPRC5AR1
SCHEMBL29599666 0.89 GLP1R (0.70) GLP1RGCGRNMBRGRPRC5AR1
SCHEMBL20764721 0.88 GRPR (0.70) GLP1RGCGRNMBRGRPRCTSL
SCHEMBL6689263 0.88 GLP1R (0.69) GLP1RGCGRC5AR1CALCANPY1R
SCHEMBL31182829 0.88 GLP1R (0.73) GLP1RGCGRC5AR1NPY1RNPY2R
SCHEMBL30932061 0.88 GLP1R (0.72) GLP1RGCGRCALCANPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119868594-A Method for radiolabelling GRPR antagonist and kit thereof 诺华股份有限公司 2025-04-25 — — CN disclosed
WO-2024212808-A1 BOMBESIN POLYPEPTIDE COMPOUND AND USE THEREOF 湖南中晟全肽生物科技股份有限公司 2024-10-17 — — WO disclosed
CN-118772232-A Rana chensinensis skin polypeptide compound and application thereof 湖南中晟全肽生物科技股份有限公司 2024-10-15 — — CN disclosed
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