SCHEMBL30698075

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	AGTR2	P50052	3/20	0.61

▸	AGTR1	P30556	2/20	0.61

▸	CALCRL	Q16602	3/20	0.57

▸	OPRD1	P41143	3/20	0.54

▸	OPRM1	P35372	1/20	0.53

▸	OPRK1	P41145	1/20	0.53

▸	NTSR1	P30989	3/20	0.53

▸	NTSR2	O95665	2/20	0.53

▸	SORT1	Q99523	2/20	0.53

▸	MAPK8	P45983	1/20	0.53

▸	MAPK9	P45984	1/20	0.53

▸	MAPK10	P53779	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
SCHEMBL30883235	0.88	NPY2R (0.59)	AGTR2AGTR1NTSR1NTSR2SORT1
SCHEMBL30432401	0.88	CALCR (0.61)	CALCRLOPRD1MAPK8MAPK9MAPK10
SCHEMBL10305352	0.86	NTSR1 (0.65)	OPRD1OPRM1OPRK1NTSR1NTSR2
SCHEMBL30296696	0.86	CALCR (0.54)	AGTR2AGTR1OPRD1NTSR1NTSR2
SCHEMBL31575686	0.86	OPRD1 (0.59)	OPRD1OPRM1OPRK1
SCHEMBL30974520	0.85	BACE1 (0.58)	CALCRLOPRD1OPRM1OPRK1MAPK8
SCHEMBL30607433	0.85	NTSR1 (0.59)	NTSR1NTSR2SORT1
SCHEMBL31683251	0.85	OPRD1 (0.60)	OPRD1OPRM1OPRK1NTSR1MAPK8
SCHEMBL30974517	0.85	BACE1 (0.57)	CALCRLOPRD1OPRM1OPRK1
SCHEMBL29489268	0.85	CRHR1 (0.56)	AGTR2AGTR1

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-110746487-B	Short peptides and use of compositions thereof for treating/preventing diabetes and related diseases	东海大学	2023-12-12	—	—	CN	disclosed