SCHEMBL31027142

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

nearest known ligand 0.76

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	13/20	0.75

▸	GCGR	P47871	8/20	0.73

▸	NPY1R	P25929	1/20	0.73

▸	NPY2R	P49146	1/20	0.73

▸	NPY4R	P50391	1/20	0.73

▸	NPY5R	Q15761	1/20	0.73

▸	CALCR	P30988	3/20	0.72

▸	KEAP1	Q14145	1/20	0.70

▸	GIPR	P48546	5/20	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
SCHEMBL31027131	0.97	CALCR (0.76)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL29508830	0.96	GLP1R (0.74)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30658246	0.96	GLP1R (0.79)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30771981	0.95	CALCR (0.77)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL31217658	0.94	CALCR (0.75)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30966637	0.94	GLP1R (0.76)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL29843716	0.94	CALCR (0.76)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30658237	0.94	CALCR (0.76)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30932063	0.94	GLP1R (0.73)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL31146727	0.94	CALCR (0.74)	GLP1RGCGRNPY1RNPY2RNPY4R

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
US-20250051395-A1	PEPTIDES AND METHODS FOR USE IN TREATING PAIN	CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR)	2025-02-13	—	—	US	disclosed
CN-118401249-A	Peptides and methods for treating pain	塔法吉斯生技公司	2024-07-26	—	—	CN	disclosed