SCHEMBL30721558

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)[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](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[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](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.77

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.72

▸	NPY2R	P49146	1/20	0.72

▸	NPY4R	P50391	1/20	0.72

▸	NPY5R	Q15761	1/20	0.72

▸	GLP1R	P43220	13/20	0.71

▸	CCKBR	P32239	2/20	0.71

▸	CALCR	P30988	4/20	0.71

▸	GCGR	P47871	5/20	0.69

▸	KEAP1	Q14145	1/20	0.68

▸	GIPR	P48546	2/20	0.67

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
SCHEMBL30721620	0.99	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721578	0.99	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721577	0.99	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721579	0.99	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721573	0.99	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721629	0.98	GLP1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721595	0.98	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721639	0.98	NPY1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721653	0.97	CALCR (0.75)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30721635	0.97	GLP1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R

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