SCHEMBL29429573

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

nearest known ligand 0.78

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	15/20	0.71

▸	NPY1R	P25929	1/20	0.71

▸	NPY2R	P49146	1/20	0.71

▸	NPY4R	P50391	1/20	0.71

▸	NPY5R	Q15761	1/20	0.71

▸	GCGR	P47871	3/20	0.70

▸	CCKBR	P32239	1/20	0.68

▸	KEAP1	Q14145	1/20	0.67

▸	CRHR1	P34998	1/20	0.65

▸	CRHR2	Q13324	1/20	0.65

▸	GIPR	P48546	3/20	0.65

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
SCHEMBL30213352	0.99	GLP1R (0.73)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30403451	0.99	GLP1R (0.73)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL29429584	0.98	NPY1R (0.73)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30932069	0.94	GLP1R (0.74)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31222182	0.94	NPY1R (0.73)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30658408	0.93	GLP1R (0.72)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30658287	0.93	NPY1R (0.70)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30658214	0.92	NPY2R (0.72)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30358170	0.92	NPY2R (0.72)	GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31182986	0.92	PTH1R (0.68)	GLP1RNPY1RNPY2RNPY4RNPY5R

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-108350046-B	Analogs of VDAC 1-derived peptides	在本-古里安大学的B．G．内盖夫科技与应用有限公司	2022-04-01	—	—	CN	disclosed