SCHEMBL29728182

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)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)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	10/20	0.64

▸	OPRM1	P35372	4/20	0.60

▸	NTSR2	O95665	2/20	0.58

▸	NTSR1	P30989	2/20	0.58

▸	SORT1	Q99523	2/20	0.58

▸	GLP1R	P43220	1/20	0.56

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	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.

Compound	similarity	top predicted	shared targets
SCHEMBL29728181	0.96	OPRD1 (0.67)	OPRD1OPRM1NTSR2NTSR1SORT1
SCHEMBL29728180	0.93	C5AR1 (0.60)	OPRD1GLP1RGIPR
SCHEMBL29728183	0.90	CXCR4 (0.61)	OPRD1GLP1RGIPR
SCHEMBL30176448	0.87	OPRD1 (0.64)	OPRD1OPRM1NTSR1
SCHEMBL29679773	0.86	OPRD1 (0.64)	OPRD1OPRM1GLP1RGCGRGIPR
SCHEMBL31182450	0.85	NPY2R (0.66)	—
SCHEMBL30726583	0.85	NPY2R (0.62)	NTSR2NTSR1SORT1
SCHEMBL30350078	0.85	OPRD1 (0.61)	OPRD1OPRM1NTSR1
SCHEMBL31598477	0.84	OPRD1 (0.64)	OPRD1NTSR2NTSR1SORT1
SCHEMBL31575688	0.84	CALCR (0.62)	OPRD1OPRM1

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-114874292-A	Multi-target chimeric peptide compound, preparation method and application thereof	南通大学	2022-08-09	—	—	CN	disclosed