SCHEMBL30498022

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1C)C(=O)N[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	7/20	0.53

▸	OPRK1	P41145	7/20	0.53

▸	NPY1R	P25929	2/20	0.52

▸	NTSR2	O95665	2/20	0.49

▸	NTSR1	P30989	2/20	0.49

▸	SORT1	Q99523	2/20	0.49

▸	CXCR4	P61073	1/20	0.49

▸	REN	P00797	3/20	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
SCHEMBL30498027	0.93	OPRM1 (0.52)	OPRM1OPRK1NPY1RNTSR2NTSR1
SCHEMBL29412263	0.90	CXCR4 (0.61)	OPRM1OPRK1NPY1RNTSR2NTSR1
SCHEMBL30498028	0.89	OPRM1 (0.65)	OPRM1OPRK1
SCHEMBL29708093	0.89	OPRM1 (0.65)	OPRM1OPRK1
SCHEMBL30498026	0.87	OPRM1 (0.60)	OPRM1OPRK1
SCHEMBL29675079	0.86	CXCR4 (0.60)	OPRM1OPRK1NTSR2NTSR1SORT1
SCHEMBL28202049	0.86	CXCR4 (0.60)	OPRM1OPRK1NTSR2NTSR1SORT1
SCHEMBL30273393	0.86	CXCR4 (0.61)	OPRM1OPRK1NPY1RNTSR2NTSR1
SCHEMBL31291033	0.85	NPY1R (0.60)	OPRM1OPRK1NPY1RNTSR2NTSR1
SCHEMBL31058052	0.85	OPRM1 (0.47)	OPRM1OPRK1NPY1RNTSR2NTSR1

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
EP-3578566-B1	BIOCIDAL PEPTIDE AND PREPARATION BASED THEREON	VERTA RES PRODUCTION COMPANY LTD (RU)	2023-07-19	—	—	EP	disclosed