SCHEMBL30213352

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

nearest known ligand 0.78

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	17/20	0.73

▸	GCGR	P47871	3/20	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	1/20	0.68

▸	GIPR	P48546	5/20	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
SCHEMBL30403451	1.00	GLP1R (0.73)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL29429584	0.99	NPY1R (0.73)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL29429573	0.99	GLP1R (0.71)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30932069	0.95	GLP1R (0.74)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30658408	0.94	GLP1R (0.72)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30658214	0.94	NPY2R (0.72)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL30658287	0.93	NPY1R (0.70)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL31182986	0.93	PTH1R (0.68)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31222182	0.93	NPY1R (0.73)	GLP1RGCGRNPY1RNPY2RNPY4R
SCHEMBL29598077	0.93	NPY2R (0.75)	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-11634465-B2	Analogues of VDAC1-derived peptides	B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNLVERSITY (IL)	2023-04-25	—	—	US	disclosed
US-20230066049-A1	PEPTIDES USEFUL IN PRESERVATION AND/OR RESTORATION OF FUNCTIONAL PANCREATIC ISLETS AND IN TREATING DIABETES	NAT INST BIOTECHNOLOGY NEGEV LTD (IL)	2023-03-02	—	—	US	disclosed