SCHEMBL31410653

CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCNC(=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)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	0.56

▸	CXCL8	P10145	5/20	0.51

▸	CTSL	P07711	3/20	0.51

▸	CTSS	P25774	3/20	0.51

▸	CTSK	P43235	3/20	0.51

▸	CTSH	P09668	1/20	0.51

▸	MC4R	P32245	1/20	0.50

▸	MC5R	P33032	1/20	0.50

▸	MC3R	P41968	1/20	0.50

▸	MC1R	Q01726	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
SCHEMBL30262115	0.85	CXCR4 (0.63)	CXCR4
SCHEMBL30582469	0.85	CTSL (0.57)	CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL30777636	0.85	CTSL (0.57)	CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL30258085	0.84	CXCL8 (0.55)	CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL31182984	0.84	CXCR4 (0.69)	CXCR4
SCHEMBL30894383	0.84	CXCR4 (0.56)	CXCR4CXCL8MC4RMC5RMC3R
SCHEMBL31186277	0.83	MC4R (0.61)	CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL30258020	0.83	CXCL8 (0.56)	CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL31544537	0.83	CXCR4 (0.58)	CXCR4CXCL8MC4RMC5RMC3R
SCHEMBL30797905	0.83	MC4R (0.58)	CXCR4CXCL8CTSLCTSSCTSK

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-119390770-A	Cyclic peptide ligand of targeting Nectin-4, nuclide labeled compound and application	北京大学第一医院(北京大学第一临床医学院)	2025-02-07	—	—	CN	disclosed