SCHEMBL30679580

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.44

▸	GLP1R	P43220	6/20	0.44

▸	SCTR	P47872	1/20	0.44

▸	OPRM1	P35372	1/20	0.41

▸	OPRD1	P41143	1/20	0.41

▸	HCRTR1	O43613	1/20	0.41

▸	HCRTR2	O43614	1/20	0.41

▸	F2	P00734	1/20	0.40

▸	IL23R	Q5VWK5	1/20	0.40

▸	KEAP1	Q14145	1/20	0.40

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
SCHEMBL30538459	0.99	CALCR (0.45)	CALCRGLP1RSCTROPRM1OPRD1
SCHEMBL29965820	0.99	CALCR (0.45)	CALCRGLP1RSCTROPRM1OPRD1
SCHEMBL30679581	0.99	CALCR (0.45)	CALCRGLP1RSCTROPRM1OPRD1
SCHEMBL31454245	0.91	GLP1R (0.43)	CALCRGLP1RSCTROPRM1OPRD1
SCHEMBL30538447	0.90	CALCR (0.56)	CALCRGLP1RSCTRHCRTR1HCRTR2
SCHEMBL29965725	0.90	CALCR (0.56)	CALCRGLP1RSCTRHCRTR1HCRTR2
SCHEMBL30679585	0.90	CALCR (0.55)	CALCRGLP1RHCRTR1HCRTR2F2
SCHEMBL30218810	0.86	CALCR (0.48)	CALCRGLP1RSCTRF2
SCHEMBL29965841	0.85	OPRM1 (0.43)	OPRM1OPRD1
SCHEMBL30538454	0.85	OPRM1 (0.43)	OPRM1OPRD1

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-117209564-A	Oligopeptide searching method, oligopeptide and modified peptide	日本瑞翁株式会社	2023-12-12	—	—	CN	claimed