SCHEMBL31027131

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](CS)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)CS)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](CS)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](CS)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](CS)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](CS)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 0.79

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.76

▸	GLP1R	P43220	12/20	0.73

▸	GCGR	P47871	5/20	0.72

▸	NPY1R	P25929	1/20	0.71

▸	NPY2R	P49146	1/20	0.71

▸	NPY4R	P50391	1/20	0.71

▸	NPY5R	Q15761	1/20	0.71

▸	CCKBR	P32239	4/20	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
SCHEMBL31027142	0.97	GLP1R (0.75)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30771981	0.96	CALCR (0.77)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL29843716	0.96	CALCR (0.76)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30658237	0.96	CALCR (0.76)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL31146727	0.95	CALCR (0.74)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL31217658	0.95	CALCR (0.75)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30721580	0.95	CALCR (0.75)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30721653	0.95	CALCR (0.75)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL30932077	0.95	CALCR (0.76)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL31202689	0.95	CALCR (0.73)	CALCRGLP1RGCGRNPY1RNPY2R

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