SCHEMBL29635277

SCHEMBL29635277

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.53
▸ CCKBR P32239 4/20 0.49
▸ OPRD1 P41143 5/20 0.48
▸ CCKAR P32238 1/20 0.47
▸ OPRM1 P35372 1/20 0.47

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
SCHEMBL30512625 0.83 BACE1 (0.57) BACE1OPRD1OPRM1
SCHEMBL30210965 0.82 OPRD1 (0.58) CCKBROPRD1OPRM1
SCHEMBL31038686 0.82 OPRD1 (0.58) BACE1CCKBROPRD1CCKAROPRM1
SCHEMBL30512705 0.82 OPRM1 (0.52) BACE1OPRD1OPRM1
SCHEMBL30887562 0.82 OPRD1 (0.64) OPRD1OPRM1
SCHEMBL30839332 0.82 BACE1 (0.54) BACE1CCKBRCCKAR
SCHEMBL30839330 0.81 CCKAR (0.51) BACE1CCKBROPRD1CCKAROPRM1
SCHEMBL30839325 0.81 CCKAR (0.51) BACE1CCKBROPRD1CCKAROPRM1
SCHEMBL31549519 0.81 BACE1 (0.55) BACE1CCKBR
SCHEMBL31069951 0.81 OPRD1 (0.49) CCKBROPRD1CCKAROPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336652-A1 Peptide compounds targeting PD-1 receptor as well as preparation and applications thereof UNIV NANTONG (CN) 2024-10-10 — — US disclosed
WO-2022257831-A1 POLYPEPTIDE COMPOUNDS USING PD-1 RECEPTORS AS TARGETS, PREPARATION METHOD THEREFOR AND USE THEREOF 南通大学 2022-12-15 — — WO disclosed
CN-113416232-B Polypeptide compounds with PD-1 receptor as target spot, preparation method and application thereof 南通大学 2022-06-03 — — CN disclosed
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