SCHEMBL30343609

C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	6/20	0.56

▸	OPRD1	P41143	4/20	0.56

▸	SLC6A2	P23975	1/20	0.56

▸	NTSR2	O95665	1/20	0.52

▸	NTSR1	P30989	1/20	0.52

▸	NMUR2	Q9GZQ4	2/20	0.51

▸	RAMP3	O60896	1/20	0.51

▸	CALCR	P30988	1/20	0.51

▸	NMUR1	Q9HB89	1/20	0.50

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
SCHEMBL29470181	0.90	SLC6A2 (0.59)	OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL30690383	0.90	OPRM1 (0.56)	OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL29746989	0.88	SLC6A2 (0.54)	OPRM1SLC6A2NTSR2NTSR1NMUR2
SCHEMBL29630474	0.88	SLC6A2 (0.66)	OPRM1OPRD1SLC6A2
SCHEMBL30930530	0.88	NPY2R (0.54)	OPRM1OPRD1NMUR2NMUR1
SCHEMBL29592515	0.87	OPRM1 (0.59)	OPRM1OPRD1SLC6A2
SCHEMBL31483575	0.87	SLC6A2 (0.58)	OPRM1OPRD1SLC6A2NTSR2NTSR1
SCHEMBL30690391	0.86	SLC6A2 (0.59)	OPRM1OPRD1SLC6A2
SCHEMBL30973949	0.86	OPRM1 (0.59)	OPRM1OPRD1SLC6A2
SCHEMBL29796546	0.86	OPRM1 (0.56)	OPRM1OPRD1SLC6A2NTSR2NTSR1

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-111234004-B	T cell receptor for recognizing WT1 antigen short peptide and application thereof	陕西九州新药评价研究有限公司(西安新药评价研究中心)	2023-03-28	—	—	CN	disclosed