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SCHEMBL30887982

SCHEMBL30887982

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(C)C)C(C)C)C(C)C)[C@@H](C)CC

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.70
▸ NPY2R P49146 1/20 0.70
▸ NPY4R P50391 1/20 0.70
▸ NPY5R Q15761 1/20 0.70
▸ CXCR4 P61073 8/20 0.69
▸ GLP1R P43220 4/20 0.68
▸ CCKBR P32239 2/20 0.68
▸ IL23R Q5VWK5 1/20 0.65
▸ CALCR P30988 4/20 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
SCHEMBL30669427 0.96 NPY2R (0.69) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182522 0.92 NPY2R (0.71) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL29421088 0.91 NPY1R (0.65) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30567706 0.91 GLP1R (0.70) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30824296 0.90 NPY2R (0.74) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30721554 0.90 NPY2R (0.76) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30578742 0.90 NPY2R (0.77) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30658240 0.90 NPY2R (0.74) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL30906456 0.89 NPY1R (0.67) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31000908 0.89 NPY2R (0.72) NPY1RNPY2RNPY4RNPY5RCXCR4

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-117164668-B Polypeptide compound, composition and use thereof 青岛双元泰和药业有限公司 2024-05-10 — — CN disclosed
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