SCHEMBL31544537

CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	0.58

▸	CXCL8	P10145	5/20	0.50

▸	MC4R	P32245	1/20	0.50

▸	MC5R	P33032	1/20	0.50

▸	MC3R	P41968	1/20	0.50

▸	MC1R	Q01726	1/20	0.50

▸	GLP1R	P43220	3/20	0.49

▸	GCGR	P47871	3/20	0.49

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
SCHEMBL30894383	0.90	CXCR4 (0.56)	CXCR4CXCL8MC4RMC5RMC3R
SCHEMBL30570441	0.86	CXCL8 (0.49)	CXCR4CXCL8MC4RMC5RMC3R
SCHEMBL31410653	0.83	CXCR4 (0.56)	CXCR4CXCL8MC4RMC5RMC3R
SCHEMBL30582469	0.81	CTSL (0.57)	CXCR4CXCL8MC4RMC5RMC3R
SCHEMBL31182751	0.81	CXCL8 (0.63)	CXCR4CXCL8GLP1RGCGR
SCHEMBL30432221	0.81	IL23R (0.62)	CXCR4MC4RMC5RMC3RMC1R
SCHEMBL31182984	0.80	CXCR4 (0.69)	CXCR4GLP1RGCGR
SCHEMBL30646301	0.79	CXCR4 (0.66)	CXCR4GLP1RGCGR
SCHEMBL29416050	0.79	CXCR4 (0.66)	CXCR4GLP1RGCGR
SCHEMBL30512621	0.79	CXCR4 (0.64)	CXCR4

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-119775367-A	Nectin-4 targeted bicyclic peptide nuclide ligand, probe, and preparation methods and applications thereof	原子高科股份有限公司	2025-04-08	—	—	CN	disclosed