SCHEMBL31267112

CC(C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	3/20	0.58

▸	NMUR2	Q9GZQ4	8/20	0.57

▸	NMUR1	Q9HB89	8/20	0.57

▸	OPRM1	P35372	6/20	0.53

▸	OPRK1	P41145	6/20	0.53

▸	STAT3	P40763	1/20	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
SCHEMBL31267111	0.97	NMUR2 (0.59)	EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31267101	0.96	NMUR2 (0.59)	EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31267106	0.95	NMUR2 (0.61)	EPHA2NMUR2NMUR1OPRM1STAT3
SCHEMBL31267115	0.94	NMUR2 (0.57)	EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31267100	0.94	NMUR2 (0.57)	EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31267114	0.94	NMUR2 (0.57)	EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31267116	0.94	NMUR2 (0.57)	EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31267123	0.94	NMUR2 (0.57)	EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31267119	0.94	NMUR2 (0.62)	EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL31267133	0.93	NMUR2 (0.58)	EPHA2NMUR2NMUR1OPRM1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-119143843-B	CXCR4 targeting polypeptide and preparation method and application thereof	中国药科大学	2025-02-25	—	—	CN	disclosed
CN-119143843-A	CXCR4 targeting polypeptide and preparation method and application thereof	中国药科大学	2024-12-17	—	—	CN	disclosed