SCHEMBL31452904

SCHEMBL31452904

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.62
▸ CTSS P25774 3/20 0.62
▸ CTSK P43235 3/20 0.62
▸ CTSH P09668 1/20 0.62
▸ CXCR4 P61073 5/20 0.62
▸ CXCL8 P10145 6/20 0.60
▸ MC4R P32245 1/20 0.58
▸ MC5R P33032 1/20 0.58
▸ MC3R P41968 1/20 0.58
▸ MC1R Q01726 1/20 0.58
▸ GLP1R P43220 3/20 0.56
▸ GCGR P47871 3/20 0.56
▸ IL23R Q5VWK5 1/20 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
SCHEMBL31186277 0.90 MC4R (0.61) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31182666 0.89 CXCR4 (0.68) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL29394617 0.89 CXCR4 (0.71) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL31171035 0.88 CXCR4 (0.70) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31452901 0.88 CXCR4 (0.67) CXCR4CXCL8IL23R
SCHEMBL31182694 0.87 CXCR4 (0.71) CXCR4GLP1RGCGR
SCHEMBL31067646 0.87 NPY1R (0.68) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30578730 0.87 NPY1R (0.70) CXCR4CXCL8GLP1RGCGR
SCHEMBL29416064 0.87 CXCR4 (0.62) CXCR4CXCL8MC4RMC5RMC3R
SCHEMBL30495596 0.87 CXCR4 (0.68) CXCR4MC4RMC5RMC3RMC1R

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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