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SCHEMBL30843900

SCHEMBL30843900

CCCC(=O)[C@H](CO)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

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.62
▸ CXCR4 P61073 11/20 0.62
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ GCGR P47871 4/20 0.58
▸ GIPR P48546 1/20 0.58
▸ GLP1R P43220 3/20 0.56

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
SCHEMBL30843899 0.94 CXCR4 (0.63) CALCACXCR4NPY1RNPY2RNPY4R
SCHEMBL30843901 0.91 GLP1R (0.65) CALCACXCR4NPY1RNPY2RNPY4R
SCHEMBL30843897 0.89 NPY1R (0.64) CALCACXCR4NPY1RNPY2RNPY4R
SCHEMBL30843895 0.89 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RGCGR
SCHEMBL30666394 0.88 CXCR4 (0.63) CALCACXCR4NPY1RNPY2RNPY4R
SCHEMBL30843896 0.87 GLP1R (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906444 0.87 CALCA (0.65) CALCACXCR4NPY1RNPY2RNPY4R
SCHEMBL30666381 0.87 CALCA (0.65) CALCACXCR4NPY1RNPY2RNPY4R
SCHEMBL30883231 0.85 CXCR4 (0.68) CALCACXCR4NPY1RNPY2RNPY4R
SCHEMBL31307176 0.85 CXCR4 (0.65) CALCACXCR4NPY1RNPY2RNPY4R

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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