SCHEMBL30205377

SCHEMBL30205377

C[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 11/20 0.61
▸ C5AR1 P21730 1/20 0.56
▸ IL23R Q5VWK5 1/20 0.55
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ CTSH P09668 1/20 0.55
▸ KISS1R Q969F8 3/20 0.53
▸ SLC6A2 P23975 1/20 0.52

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
SCHEMBL30565410 0.90 C5AR1 (0.56) CXCR4C5AR1IL23RCTSLCTSS
SCHEMBL34461927 0.89 CXCR4 (0.60) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31729497 0.88 SLC6A2 (0.62) C5AR1IL23RKISS1RSLC6A2
SCHEMBL30261964 0.87 CXCR4 (0.60) CXCR4C5AR1
SCHEMBL29520254 0.87 KISS1R (0.62) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31452901 0.87 CXCR4 (0.67) CXCR4C5AR1IL23R
SCHEMBL31073511 0.86 CXCR4 (0.61) CXCR4IL23RCTSLCTSSCTSK
SCHEMBL29614906 0.86 C5AR1 (0.58) CXCR4C5AR1IL23RKISS1R
SCHEMBL30582469 0.86 CTSL (0.57) CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL30575503 0.86 C5AR1 (0.59) CXCR4C5AR1IL23R

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-115819508-B Isolated oligopeptides and their use in the preparation of hypoglycemic drugs or foods 中国农业大学 2023-07-18 — — CN disclosed
CN-115819508-A Isolated oligopeptide and application thereof in preparation of hypoglycemic drugs or foods 中国农业大学 2023-03-21 — — CN disclosed
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