SCHEMBL31707333

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	12/20	0.73

▸	C5AR1	P21730	1/20	0.65

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	IL23R	Q5VWK5	1/20	0.60

▸	MC4R	P32245	2/20	0.60

▸	MC5R	P33032	2/20	0.60

▸	MC3R	P41968	2/20	0.60

▸	MC1R	Q01726	2/20	0.60

▸	GLP1R	P43220	1/20	0.58

▸	GCGR	P47871	1/20	0.58

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
SCHEMBL31683258	0.92	CXCR4 (0.71)	CXCR4C5AR1MC4RMC5RMC3R
SCHEMBL30527870	0.90	CXCR4 (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416034	0.90	CXCR4 (0.69)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31011012	0.90	CXCR4 (0.68)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL29416243	0.90	CXCR4 (0.70)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30272499	0.90	CXCR4 (0.70)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL31433330	0.90	CXCR4 (0.64)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30485538	0.89	CXCR4 (0.69)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL29618035	0.89	CXCR4 (0.72)	CXCR4C5AR1NPY1RNPY2RNPY4R
SCHEMBL30495593	0.89	CXCR4 (0.69)	CXCR4C5AR1NPY1RNPY2RNPY4R

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-120818019-A	Double-target cyclic peptide and synthesis method and medical application thereof	新乡医学院	2025-10-21	—	—	CN	disclosed