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SCHEMBL31452902

SCHEMBL31452902

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 4/20 0.59
▸ CXCL8 P10145 6/20 0.57
▸ CALCR P30988 3/20 0.57
▸ GLP1R P43220 3/20 0.55
▸ GCGR P47871 3/20 0.55
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ KEAP1 Q14145 1/20 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
SCHEMBL30578730 0.88 NPY1R (0.70) CXCR4CXCL8CALCRGLP1RGCGR
SCHEMBL30712975 0.88 GLP1R (0.59) CXCR4CXCL8CALCRGLP1RGCGR
SCHEMBL30648494 0.88 CALCR (0.65) CXCR4CXCL8CALCRGLP1RNPY1R
SCHEMBL31000909 0.87 CXCL8 (0.64) CXCL8GLP1RGCGRNPY1RNPY2R
SCHEMBL30883211 0.87 CXCL8 (0.59) CXCR4CXCL8
SCHEMBL31000914 0.87 CXCL8 (0.62) CXCL8CALCRGLP1RGCGRNPY1R
SCHEMBL29743013 0.87 C5AR1 (0.59) CXCR4CALCRGLP1RGCGRNPY1R
SCHEMBL29461598 0.86 DPP3 (0.56) CXCR4CXCL8
SCHEMBL31020887 0.86 CXCR4 (0.68) CXCR4GLP1RGCGRNPY1RNPY2R
SCHEMBL30883251 0.86 GLP1R (0.57) CXCR4GLP1R

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-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN claimed
CN-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN disclosed
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