SCHEMBL30366654

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	4/20	0.45

▸	NMUR1	Q9HB89	4/20	0.45

▸	OPRM1	P35372	3/20	0.44

▸	OPRD1	P41143	3/20	0.44

▸	PLK1	P53350	1/20	0.42

▸	APLNR	P35414	1/20	0.42

▸	RAMP3	O60896	6/20	0.42

▸	CALCR	P30988	6/20	0.42

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
SCHEMBL30211041	0.90	NMUR2 (0.53)	NMUR2NMUR1PLK1APLNRRAMP3
SCHEMBL30211030	0.90	NMUR2 (0.53)	NMUR2NMUR1PLK1APLNRRAMP3
SCHEMBL30211011	0.89	PLK1 (0.52)	NMUR2NMUR1PLK1APLNRRAMP3
SCHEMBL29496452	0.88	PLK1 (0.44)	OPRM1OPRD1PLK1RAMP3CALCR
SCHEMBL30493699	0.86	NMUR2 (0.50)	NMUR2NMUR1OPRM1OPRD1APLNR
SCHEMBL29496458	0.86	NMUR2 (0.41)	NMUR2NMUR1OPRM1OPRD1APLNR
SCHEMBL31489174	0.86	NMUR2 (0.46)	NMUR2NMUR1PLK1APLNRRAMP3
SCHEMBL30658573	0.86	NMUR2 (0.43)	NMUR2NMUR1OPRM1OPRD1PLK1
SCHEMBL30531335	0.86	NMUR2 (0.42)	NMUR2NMUR1OPRM1OPRD1PLK1
SCHEMBL31257058	0.85	PLK1 (0.40)	NMUR2NMUR1OPRM1OPRD1PLK1

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-115894611-A	Selenium-rich moringa seed ACE inhibitory peptide and application thereof	北部湾大学	2023-04-04	—	—	CN	disclosed