SCHEMBL30422278

CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	1/20	0.58

▸	OPRD1	P41143	5/20	0.56

▸	OPRM1	P35372	4/20	0.56

▸	OPRK1	P41145	1/20	0.53

▸	ACE	P12821	1/20	0.52

▸	NTSR2	O95665	3/20	0.51

▸	NTSR1	P30989	3/20	0.51

▸	SORT1	Q99523	3/20	0.51

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
SCHEMBL29679700	0.89	CXCR4 (0.53)	F2OPRD1OPRM1OPRK1
SCHEMBL31362752	0.89	OPRD1 (0.62)	OPRD1OPRM1OPRK1NTSR2NTSR1
SCHEMBL22400261	0.88	OPRM1 (0.55)	F2OPRD1OPRM1OPRK1NTSR2
SCHEMBL1674814	0.88	OPRM1 (0.55)	F2OPRD1OPRM1OPRK1NTSR2
SCHEMBL1674810	0.88	OPRM1 (0.55)	F2OPRD1OPRM1OPRK1NTSR2
SCHEMBL14049707	0.87	OPRK1 (0.58)	F2OPRD1OPRM1OPRK1ACE
SCHEMBL30899149	0.87	OPRD1 (0.59)	F2OPRD1OPRM1
SCHEMBL29456373	0.87	OPRM1 (0.64)	F2OPRD1OPRM1OPRK1
SCHEMBL29836800	0.87	SLC6A2 (0.56)	OPRD1OPRM1OPRK1
SCHEMBL31473061	0.86	NTSR1 (0.52)	F2OPRD1OPRM1OPRK1NTSR2

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-116297970-A	Screening method of active substances in complex matrix based on proteolysis peptide library	中山大学	2023-06-23	—	—	CN	disclosed