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SCHEMBL30843901

SCHEMBL30843901

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

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 12/20 0.65
▸ GIPR P48546 6/20 0.65
▸ GCGR P47871 3/20 0.65
▸ NPY1R P25929 1/20 0.65
▸ NPY2R P49146 1/20 0.65
▸ NPY4R P50391 1/20 0.65
▸ NPY5R Q15761 1/20 0.65
▸ CALCA P06881 2/20 0.64
▸ CXCR4 P61073 3/20 0.62

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
SCHEMBL30666381 0.96 CALCA (0.65) GLP1RGIPRGCGRNPY1RNPY2R
SCHEMBL30843895 0.94 NPY1R (0.69) GLP1RGIPRGCGRNPY1RNPY2R
SCHEMBL30666385 0.91 NPY1R (0.69) GLP1RGIPRGCGRNPY1RNPY2R
SCHEMBL31182780 0.91 C5AR1 (0.66) GLP1RGIPRGCGRNPY1RNPY2R
SCHEMBL30843900 0.91 CALCA (0.62) GLP1RGIPRGCGRNPY1RNPY2R
SCHEMBL30843897 0.91 NPY1R (0.64) GLP1RGIPRGCGRNPY1RNPY2R
SCHEMBL30843899 0.91 CXCR4 (0.63) GLP1RGIPRGCGRNPY1RNPY2R
SCHEMBL31664364 0.90 NPY1R (0.67) GLP1RGIPRGCGRNPY1RNPY2R
SCHEMBL30658244 0.90 NPY2R (0.76) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30906444 0.89 CALCA (0.65) GLP1RGIPRGCGRNPY1RNPY2R

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-117603309-A Peptides for the treatment of cancer and uses thereof 主流源生物科技(上海)有限公司 2024-02-27 — — CN claimed
CN-117603309-A Peptides for the treatment of cancer and uses thereof 主流源生物科技(上海)有限公司 2024-02-27 — — CN disclosed
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