SCHEMBL30887066

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	8/20	0.45

▸	RAMP3	O60896	8/20	0.44

▸	CALCR	P30988	8/20	0.44

▸	NMUR2	Q9GZQ4	1/20	0.43

▸	NMUR1	Q9HB89	1/20	0.43

▸	PLK1	P53350	1/20	0.43

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
SCHEMBL30887056	0.91	KEAP1 (0.48)	CXCR4RAMP3CALCR
SCHEMBL30887061	0.90	CXCR4 (0.41)	CXCR4NMUR2NMUR1PLK1
SCHEMBL30887064	0.89	CXCR4 (0.47)	CXCR4RAMP3CALCRPLK1
SCHEMBL30887062	0.88	CXCR4 (0.49)	CXCR4RAMP3CALCR
SCHEMBL30887059	0.87	OPRL1 (0.42)	CXCR4
SCHEMBL30887077	0.86	CXCR4 (0.51)	CXCR4NMUR2NMUR1PLK1
SCHEMBL30887070	0.86	CXCR4 (0.51)	CXCR4RAMP3CALCRPLK1
SCHEMBL30887069	0.85	MAPK8 (0.50)	CXCR4RAMP3CALCR
SCHEMBL32674582	0.85	RAMP3 (0.53)	RAMP3CALCRNMUR2NMUR1PLK1
SCHEMBL30887068	0.84	CXCR4 (0.53)	CXCR4NMUR2NMUR1PLK1

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-117164663-B	Polypeptide compound, composition and use thereof	青岛双元泰和药业有限公司	2024-05-10	—	—	CN	disclosed