SCHEMBL30512533

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)[C@@H](C)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	11/20	0.52

▸	NTSR2	O95665	10/20	0.52

▸	SORT1	Q99523	6/20	0.52

▸	OPRD1	P41143	2/20	0.47

▸	OPRM1	P35372	1/20	0.47

▸	OPRK1	P41145	1/20	0.47

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
SCHEMBL30512495	0.90	NTSR1 (0.55)	NTSR1NTSR2SORT1
SCHEMBL30512661	0.89	NPY2R (0.51)	NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL30512644	0.88	NTSR1 (0.56)	NTSR1NTSR2SORT1
SCHEMBL30571129	0.87	CAPN1 (0.52)	OPRD1OPRM1OPRK1
SCHEMBL8937022	0.86	CAPN1 (0.49)	NTSR1NTSR2SORT1
SCHEMBL8937016	0.86	CAPN1 (0.49)	NTSR1NTSR2SORT1
SCHEMBL31510128	0.86	XIAP (0.55)	NTSR1NTSR2SORT1
SCHEMBL31074339	0.85	NTSR1 (0.53)	NTSR1NTSR2SORT1OPRD1
SCHEMBL30386802	0.85	NTSR2 (0.49)	NTSR1NTSR2SORT1
SCHEMBL30630163	0.85	NTSR2 (0.52)	NTSR1NTSR2SORT1

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-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed