SCHEMBL30721623

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.80

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.74

▸	GLP1R	P43220	13/20	0.73

▸	GCGR	P47871	8/20	0.73

▸	GIPR	P48546	5/20	0.70

▸	KEAP1	Q14145	1/20	0.70

▸	NPY1R	P25929	1/20	0.69

▸	NPY2R	P49146	1/20	0.69

▸	NPY4R	P50391	1/20	0.69

▸	NPY5R	Q15761	1/20	0.69

▸	CCKBR	P32239	3/20	0.68

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
SCHEMBL30721583	1.00	CALCR (0.74)	CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL30721589	1.00	CALCR (0.74)	CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL30721564	1.00	CALCR (0.73)	CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL30721561	1.00	CALCR (0.74)	CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL30721597	1.00	CALCR (0.74)	CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL30721585	0.99	CALCR (0.74)	CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL30721570	0.99	CALCR (0.74)	CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL30721548	0.99	CALCR (0.74)	CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL30721636	0.99	CALCR (0.74)	CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL30721653	0.99	CALCR (0.75)	CALCRGLP1RGCGRGIPRKEAP1

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-117402256-A	Protein dimers consisting of GLP-1 and EGF (A) analogues	乐普（北京）医疗器械股份有限公司	2024-01-16	—	—	CN	disclosed