SCHEMBL30406777

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	6/20	0.63

▸	OPRD1	P41143	6/20	0.63

▸	OPRK1	P41145	6/20	0.63

▸	GLP1R	P43220	10/20	0.59

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

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
SCHEMBL30408253	0.98	OPRM1 (0.62)	OPRM1OPRD1OPRK1GLP1R
SCHEMBL30407652	0.97	OPRM1 (0.64)	OPRM1OPRD1OPRK1GLP1R
SCHEMBL31312694	0.97	OPRM1 (0.65)	OPRM1OPRD1OPRK1GLP1RGCGR
SCHEMBL31467321	0.96	OPRM1 (0.62)	OPRM1OPRD1OPRK1GLP1RGCGR
SCHEMBL29722072	0.94	GLP1R (0.65)	OPRM1OPRD1OPRK1GLP1RGCGR
SCHEMBL31062669	0.94	GLP1R (0.65)	OPRM1OPRD1OPRK1GLP1RGCGR
SCHEMBL30080556	0.93	OPRM1 (0.61)	OPRM1OPRD1OPRK1GLP1RGCGR
SCHEMBL30852826	0.91	GLP1R (0.64)	OPRM1OPRD1OPRK1GLP1RGCGR
SCHEMBL30852846	0.91	GLP1R (0.64)	OPRM1OPRD1OPRK1GLP1RGCGR
SCHEMBL30918524	0.90	GLP1R (0.58)	OPRM1OPRD1OPRK1GLP1R

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
CN-116120425-A	GLP-1/GIP receptor dual agonist and application thereof	南京赛诺生物技术有限公司	2023-05-16	—	—	CN	claimed
CN-116120425-A	GLP-1/GIP receptor dual agonist and application thereof	南京赛诺生物技术有限公司	2023-05-16	—	—	CN	disclosed