SCHEMBL29783034

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	6/20	0.53

▸	OPRK1	P41145	6/20	0.53

▸	KEAP1	Q14145	1/20	0.53

▸	MC4R	P32245	1/20	0.52

▸	NMUR2	Q9GZQ4	3/20	0.52

▸	NMUR1	Q9HB89	3/20	0.52

▸	CXCR4	P61073	1/20	0.52

▸	EPHA2	P29317	4/20	0.51

▸	TFPI	P10646	1/20	0.50

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
SCHEMBL29783021	0.94	OPRM1 (0.54)	OPRM1OPRK1KEAP1MC4RNMUR2
SCHEMBL29783025	0.90	RAMP3 (0.53)	OPRM1OPRK1MC4RNMUR2NMUR1
SCHEMBL31512991	0.86	NMUR2 (0.58)	OPRM1KEAP1NMUR2NMUR1CXCR4
SCHEMBL29782941	0.86	CXCR4 (0.53)	OPRM1OPRK1MC4RCXCR4TFPI
SCHEMBL31019921	0.86	EPHA2 (0.59)	OPRM1NMUR2NMUR1CXCR4EPHA2
SCHEMBL30140984	0.85	OPRM1 (0.55)	OPRM1OPRK1KEAP1NMUR2NMUR1
SCHEMBL18176610	0.84	OPRK1 (0.63)	OPRM1OPRK1NMUR2NMUR1
SCHEMBL29474446	0.84	EPHA2 (0.57)	OPRM1OPRK1KEAP1NMUR2NMUR1
SCHEMBL31384592	0.84	NPY4R (0.60)	OPRM1OPRK1
SCHEMBL31303212	0.84	CXCR4 (0.50)	KEAP1MC4RNMUR2NMUR1CXCR4

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-108137694-B	Ligand of integrin alpha v beta 6 and synthesis and application thereof	慕尼黑工业大学	2022-08-12	—	—	CN	claimed