SCHEMBL30275583

SCHEMBL30275583

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 10/20 0.62
▸ CTSL P07711 3/20 0.60
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 3/20 0.60
▸ CTSH P09668 1/20 0.60
▸ C5AR1 P21730 1/20 0.55
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ CXCL8 P10145 5/20 0.54

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
SCHEMBL31073511 0.88 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29624137 0.87 CXCR4 (0.65) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30423162 0.87 CXCR4 (0.61) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30808876 0.86 CTSL (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29674968 0.86 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29674837 0.86 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29895404 0.86 CXCR4 (0.61) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31622299 0.86 CXCR4 (0.66) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30978822 0.86 CXCR4 (0.60) CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL29842340 0.85 CXCR4 (0.64) CXCR4CTSLCTSSCTSKCTSH

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-115991734-B Siniperca chuatsi source active peptide with DPP-IV inhibition effect 中国水产科学研究院南海水产研究所 2023-08-08 — — CN disclosed
CN-115991734-A Siniperca chuatsi source active peptide with DPP-IV inhibition effect 中国水产科学研究院南海水产研究所 2023-04-21 — — CN disclosed
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