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SCHEMBL30843896

SCHEMBL30843896

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 14/20 0.66
▸ GCGR P47871 10/20 0.66
▸ GIPR P48546 7/20 0.66
▸ NPY1R P25929 1/20 0.66
▸ NPY2R P49146 1/20 0.66
▸ NPY4R P50391 1/20 0.66
▸ NPY5R Q15761 1/20 0.66
▸ CXCR4 P61073 1/20 0.65
▸ KEAP1 Q14145 1/20 0.64
▸ CCKBR P32239 2/20 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
SCHEMBL30666393 0.95 NPY1R (0.67) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL29949915 0.92 KEAP1 (0.69) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30932068 0.91 NPY1R (0.72) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL29429581 0.91 NPY1R (0.74) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL29429583 0.91 NPY1R (0.74) GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30307616 0.91 GLP1R (0.80) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30307619 0.91 GLP1R (0.80) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL29563057 0.91 NPY1R (0.65) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30428975 0.90 NPY2R (0.68) GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30403572 0.90 GLP1R (0.73) GLP1RGCGRNPY1RNPY2RNPY4R

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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