SCHEMBL29782940

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

nearest known ligand 0.51

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	14/20	0.51

▸	CALCR	P30988	14/20	0.51

▸	CXCR4	P61073	1/20	0.46

▸	OPRM1	P35372	2/20	0.44

▸	OPRK1	P41145	2/20	0.44

▸	NMUR2	Q9GZQ4	2/20	0.44

▸	NMUR1	Q9HB89	2/20	0.44

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
SCHEMBL29783025	0.89	RAMP3 (0.53)	RAMP3CALCRCXCR4OPRM1OPRK1
SCHEMBL29782941	0.85	CXCR4 (0.53)	RAMP3CALCRCXCR4OPRM1OPRK1
SCHEMBL30512493	0.84	RAMP3 (0.54)	RAMP3CALCRCXCR4NMUR2NMUR1
SCHEMBL31467773	0.84	RAMP3 (0.51)	RAMP3CALCRCXCR4
SCHEMBL29783021	0.82	OPRM1 (0.54)	RAMP3CALCROPRM1OPRK1NMUR2
SCHEMBL31303212	0.82	CXCR4 (0.50)	RAMP3CALCRCXCR4NMUR2NMUR1
SCHEMBL30455187	0.81	RAMP3 (0.50)	RAMP3CALCRCXCR4OPRM1OPRK1
SCHEMBL30512588	0.80	RAMP3 (0.53)	RAMP3CALCRCXCR4NMUR2NMUR1
SCHEMBL29783034	0.80	OPRM1 (0.53)	CXCR4OPRM1OPRK1NMUR2NMUR1
SCHEMBL31031543	0.80	RAMP3 (0.66)	RAMP3CALCR

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