SCHEMBL29669221

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

nearest known ligand 0.49

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	6/20	0.49

▸	APLNR	P35414	3/20	0.47

▸	GLP1R	P43220	8/20	0.46

▸	GIPR	P48546	8/20	0.46

▸	GCGR	P47871	1/20	0.46

▸	OPRD1	P41143	2/20	0.45

▸	OPRM1	P35372	1/20	0.45

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
SCHEMBL30473772	0.93	OPRM1 (0.46)	CXCR4APLNRGLP1RGIPRGCGR
SCHEMBL30473780	0.93	OPRM1 (0.46)	CXCR4APLNRGLP1RGIPRGCGR
SCHEMBL30456055	0.91	APLNR (0.54)	CXCR4APLNRGLP1RGIPROPRD1
SCHEMBL30473784	0.91	CXCR4 (0.43)	CXCR4APLNRGLP1RGIPRGCGR
SCHEMBL30473775	0.91	CXCR4 (0.43)	CXCR4APLNRGLP1RGIPRGCGR
SCHEMBL29358088	0.90	APLNR (0.46)	CXCR4APLNRGLP1RGIPRGCGR
SCHEMBL30914237	0.87	OPRM1 (0.47)	APLNRGLP1RGIPROPRD1OPRM1
SCHEMBL30307615	0.87	OPRM1 (0.46)	CXCR4OPRD1OPRM1
SCHEMBL31399254	0.86	OPRM1 (0.46)	CXCR4APLNRGLP1RGIPROPRD1
SCHEMBL29373242	0.86	OPRM1 (0.46)	CXCR4APLNROPRD1OPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2022111370-A1	GLP-1/GLUCAGON RECEPTOR DUAL-AGONIST AND APPLICATION THEREOF	江苏师范大学	2022-06-02	—	—	WO	claimed
WO-2022111370-A1	GLP-1/GLUCAGON RECEPTOR DUAL-AGONIST AND APPLICATION THEREOF	江苏师范大学	2022-06-02	—	—	WO	disclosed