SCHEMBL30721598

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)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)[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](CCC(=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 0.76

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.76

▸	NPY2R	P49146	9/20	0.67

▸	NPY1R	P25929	9/20	0.67

▸	NPY4R	P50391	8/20	0.67

▸	NPY5R	Q15761	8/20	0.67

▸	HCRTR1	O43613	1/20	0.65

▸	HCRTR2	O43614	1/20	0.65

▸	CCKBR	P32239	1/20	0.64

▸	GLP1R	P43220	1/20	0.64

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
SCHEMBL30721552	1.00	CALCR (0.76)	CALCRNPY2RNPY1RNPY4RNPY5R
SCHEMBL30721613	0.99	CALCR (0.76)	CALCRNPY2RNPY1RNPY4RNPY5R
SCHEMBL30721567	0.99	CALCR (0.76)	CALCRNPY2RNPY1RNPY4RNPY5R
SCHEMBL30721550	0.99	CALCR (0.76)	CALCRNPY2RNPY1RNPY4RNPY5R
SCHEMBL30721562	0.99	CALCR (0.76)	CALCRNPY2RNPY1RNPY4RNPY5R
SCHEMBL30721659	0.98	CALCR (0.76)	CALCRNPY2RNPY1RNPY4RNPY5R
SCHEMBL30721582	0.98	CALCR (0.76)	CALCRNPY2RNPY1RNPY4RNPY5R
SCHEMBL30721578	0.95	NPY1R (0.71)	CALCRNPY2RNPY1RNPY4RNPY5R
SCHEMBL30721577	0.95	NPY1R (0.71)	CALCRNPY2RNPY1RNPY4RNPY5R
SCHEMBL29939723	0.95	CALCR (0.79)	CALCRNPY2RNPY1RNPY4RNPY5R

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