SCHEMBL31467529

NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.62

▸	OPRD1	P41143	4/20	0.62

▸	KEAP1	Q14145	1/20	0.53

▸	F2	P00734	4/20	0.52

▸	NMUR2	Q9GZQ4	5/20	0.51

▸	NMUR1	Q9HB89	4/20	0.51

▸	EPHA2	P29317	2/20	0.50

▸	CXCL8	P10145	1/20	0.49

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.

Compound	similarity	top predicted	shared targets
SCHEMBL30061229	0.87	OPRM1 (0.56)	OPRM1OPRD1F2NMUR2NMUR1
SCHEMBL31323241	0.87	SLC6A2 (0.57)	OPRM1OPRD1KEAP1F2
SCHEMBL31323240	0.85	EPHA2 (0.59)	OPRM1OPRD1KEAP1NMUR2NMUR1
SCHEMBL29864813	0.84	OPRM1 (0.58)	OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29865371	0.84	OPRM1 (0.58)	OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29864890	0.84	OPRM1 (0.58)	OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29865208	0.84	OPRM1 (0.58)	OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29864827	0.84	OPRM1 (0.58)	OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL30261963	0.84	NMUR2 (0.64)	OPRM1OPRD1KEAP1F2NMUR2
SCHEMBL29865201	0.83	OPRM1 (0.56)	OPRM1OPRD1NMUR2NMUR1EPHA2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-119978064-A	BCMA-targeted bicyclic peptide and preparation method and application thereof	北京大学第一医院(北京大学第一临床医学院)	2025-05-13	—	—	CN	disclosed