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SCHEMBL29794784

SCHEMBL29794784

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

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 14/20 0.67
▸ GCGR P47871 5/20 0.67
▸ GIPR P48546 1/20 0.67
▸ CCKBR P32239 1/20 0.63
▸ IL23R Q5VWK5 3/20 0.62
▸ PTH1R Q03431 1/20 0.62
▸ NR3C1 P04150 1/20 0.61

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
SCHEMBL30108352 0.94 GLP1R (0.71) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL30108351 0.94 GLP1R (0.70) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL30773531 0.94 PTH1R (0.69) GLP1RGCGRGIPRCCKBRIL23R
SCHEMBL31000904 0.93 GLP1R (0.69) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL30576988 0.92 GLP1R (0.70) GLP1RGCGRGIPRCCKBRPTH1R
SCHEMBL31182923 0.92 GLP1R (0.61) GLP1RGCGRGIPRCCKBRPTH1R
Acetic Acid SCHEMBL4351476 0.92 GLP1R (0.71) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL23721788 0.91 GLP1R (0.72) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL4755 0.91 GLP1R (0.72) GLP1RGCGRGIPRCCKBRNR3C1
SCHEMBL30658280 0.91 GLP1R (0.74) GLP1RGCGR

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-114773427-A Method for purifying polypeptide containing cysteine 江苏吉泰肽业科技有限公司 2022-07-22 — — CN disclosed
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