SCHEMBL29821642

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.59

▸	NMUR2	Q9GZQ4	5/20	0.58

▸	NMUR1	Q9HB89	5/20	0.58

▸	OPRM1	P35372	4/20	0.57

▸	OPRD1	P41143	4/20	0.57

▸	AGTR2	P50052	2/20	0.55

▸	SLC6A2	P23975	1/20	0.55

▸	AGTR1	P30556	1/20	0.55

▸	NPY1R	P25929	1/20	0.55

▸	KISS1R	Q969F8	1/20	0.53

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
SCHEMBL29663605	0.92	NMUR2 (0.55)	EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL30610291	0.91	NMUR2 (0.59)	EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL29769812	0.91	EPHA2 (0.56)	EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL31665899	0.90	EPHA2 (0.57)	EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL38650901	0.90	SLC6A2 (0.66)	OPRM1OPRD1AGTR2SLC6A2AGTR1
SCHEMBL9807235	0.90	EPHA2 (0.64)	EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL30479459	0.89	NMUR2 (0.53)	EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL17980306	0.89	OPRM1 (0.54)	EPHA2NMUR2NMUR1OPRM1NPY1R
SCHEMBL31473044	0.89	NMUR2 (0.58)	EPHA2NMUR2NMUR1OPRM1OPRD1
SCHEMBL30844077	0.89	OPRD1 (0.66)	EPHA2NMUR2NMUR1OPRM1OPRD1

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-114957391-A	Fructus cannabis xanthine oxidase inhibitory peptide and preparation method thereof	广西大学	2022-08-30	—	—	CN	disclosed