SCHEMBL29555524

C[C@@H](OC(C)(C)C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)NOC(C)(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)cn1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	9/20	0.41

▸	CCKAR	P32238	7/20	0.41

▸	CCKBR	P32239	7/20	0.41

▸	OPRM1	P35372	2/20	0.36

▸	OPRK1	P41145	2/20	0.36

▸	REN	P00797	1/20	0.35

▸	PSMB1	P20618	1/20	0.35

▸	PSMB8	P28062	1/20	0.35

▸	PSMB9	P28065	1/20	0.35

▸	PSMB5	P28074	1/20	0.35

▸	PSMB10	P40306	1/20	0.35

▸	PSMB2	P49721	1/20	0.35

▸	CASP1	P29466	1/20	0.35

▸	CASP3	P42574	1/20	0.35

▸	CASP9	P55211	1/20	0.35

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
SCHEMBL29554598	0.93	REN (0.37)	OPRD1CCKARCCKBRRENPSMB1
SCHEMBL31088668	0.92	REN (0.36)	OPRD1CCKARCCKBROPRM1REN
SCHEMBL29555339	0.89	OPRM1 (0.39)	OPRD1CCKARCCKBROPRM1OPRK1
SCHEMBL29824489	0.88	OPRD1 (0.37)	OPRD1CCKARCCKBROPRM1OPRK1
SCHEMBL30437952	0.87	REN (0.40)	OPRD1CCKARCCKBRREN
SCHEMBL30647311	0.86	REN (0.32)	OPRD1CCKARCCKBRREN
SCHEMBL30438040	0.85	GLP1R (0.38)	OPRD1OPRM1OPRK1REN
SCHEMBL30096878	0.84	REN (0.37)	OPRD1CCKARCCKBRREN
SCHEMBL30836804	0.81	REN (0.42)	OPRD1CCKARCCKBRREN
SCHEMBL34461946	0.81	REN (0.39)	OPRD1CCKARCCKBRRENPSMB5

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
WO-2022061924-A1	GLP-1R/GCGR DUAL-TARGET AGONIST PEPTIDE DERIVATIVES FOR TREATMENT OF VIRAL HEPATITIS-RELATED HEPATIC FIBROSIS	深圳市图微安创科技开发有限公司	2022-03-31	—	—	WO	disclosed