SCHEMBL29782941

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](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	4/20	0.53

▸	RAMP3	O60896	5/20	0.51

▸	CALCR	P30988	5/20	0.51

▸	OPRM1	P35372	6/20	0.51

▸	OPRK1	P41145	6/20	0.51

▸	MC4R	P32245	1/20	0.49

▸	TFPI	P10646	3/20	0.47

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	0.96	RAMP3 (0.53)	CXCR4RAMP3CALCROPRM1OPRK1
SCHEMBL29783021	0.90	OPRM1 (0.54)	RAMP3CALCROPRM1OPRK1MC4R
SCHEMBL31467773	0.88	RAMP3 (0.51)	CXCR4RAMP3CALCRTFPI
SCHEMBL30512493	0.87	RAMP3 (0.54)	CXCR4RAMP3CALCR
SCHEMBL31467766	0.87	NPY2R (0.54)	CXCR4RAMP3CALCRMC4RTFPI
SCHEMBL29783034	0.86	OPRM1 (0.53)	CXCR4OPRM1OPRK1MC4RTFPI
SCHEMBL31303212	0.86	CXCR4 (0.50)	CXCR4RAMP3CALCRMC4R
SCHEMBL29802258	0.86	OPRM1 (0.52)	CXCR4OPRM1OPRK1
SCHEMBL31437159	0.86	CXCR4 (0.54)	CXCR4OPRM1OPRK1TFPI
SCHEMBL29782940	0.85	RAMP3 (0.51)	CXCR4RAMP3CALCROPRM1OPRK1

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