SCHEMBL31452913

SCHEMBL31452913

N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.61
▸ CCKBR P32239 9/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ CCKAR P32238 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
SCHEMBL29454493 0.91 DPP3 (0.57) DPP3OPRM1
SCHEMBL29454483 0.91 DPP3 (0.57) DPP3OPRM1
SCHEMBL30610091 0.90 DPP3 (0.69) DPP3OPRM1
SCHEMBL29648960 0.90 DPP3 (0.69) DPP3OPRM1
SCHEMBL29498733 0.89 DPP3 (0.63) DPP3
SCHEMBL31072081 0.89 DPP3 (0.68) DPP3OPRM1
SCHEMBL30272514 0.88 DPP3 (0.57) DPP3OPRM1
SCHEMBL29974089 0.87 DPP3 (0.66) DPP3OPRM1
SCHEMBL30540269 0.87 DPP3 (0.61) DPP3CCKBROPRM1CCKAR
SCHEMBL29963309 0.87 DPP3 (0.64) DPP3OPRM1

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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