SCHEMBL31281428

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.60

▸	OPRD1	P41143	4/20	0.60

▸	NMUR2	Q9GZQ4	3/20	0.54

▸	NMUR1	Q9HB89	3/20	0.54

▸	F2	P00734	4/20	0.54

▸	BACE1	P56817	1/20	0.53

▸	CALCRL	Q16602	2/20	0.53

▸	KEAP1	Q14145	1/20	0.51

▸	BDKRB2	P30411	1/20	0.51

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
SCHEMBL31281099	0.94	OPRM1 (0.58)	OPRM1OPRD1NMUR2NMUR1F2
SCHEMBL30495622	0.92	OPRM1 (0.57)	OPRM1OPRD1F2CALCRLKEAP1
SCHEMBL30431273	0.88	NMUR2 (0.65)	NMUR2NMUR1
SCHEMBL31281288	0.88	MAPK8 (0.60)	NMUR2NMUR1
SCHEMBL30607393	0.87	CALCRL (0.59)	OPRM1OPRD1CALCRLKEAP1
SCHEMBL30495783	0.86	EP300 (0.48)	BACE1CALCRLKEAP1
SCHEMBL31241527	0.86	OPRM1 (0.64)	OPRM1OPRD1NMUR2NMUR1F2
SCHEMBL31307256	0.86	NMUR2 (0.57)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL29599109	0.85	CALCR (0.54)	F2CALCRL
SCHEMBL30457049	0.85	OPRM1 (0.49)	OPRM1OPRD1

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
WO-2024241964-A1	COMPLEX, PHARMACEUTICAL COMPOSITION, VACCINE, AND APPLICATIONS THEREOF	遠友ファーマ株式会社	2024-11-28	—	—	WO	disclosed