SCHEMBL30658306

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

nearest known ligand 0.76

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.72

▸	GLP1R	P43220	13/20	0.71

▸	GCGR	P47871	8/20	0.71

▸	GIPR	P48546	5/20	0.70

▸	CALCR	P30988	3/20	0.69

▸	NPY1R	P25929	1/20	0.68

▸	NPY2R	P49146	1/20	0.68

▸	NPY4R	P50391	1/20	0.68

▸	NPY5R	Q15761	1/20	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
SCHEMBL29771728	0.96	GLP1R (0.71)	KEAP1GLP1RGCGRGIPR
SCHEMBL29508830	0.95	GLP1R (0.74)	KEAP1GLP1RGCGRGIPRCALCR
SCHEMBL30658282	0.95	KEAP1 (0.73)	KEAP1GLP1RGCGRGIPRCALCR
SCHEMBL31182484	0.95	KEAP1 (0.72)	KEAP1GLP1RGCGRGIPRCALCR
SCHEMBL29922743	0.95	GLP1R (0.76)	KEAP1GLP1RGCGRGIPR
SCHEMBL28716445	0.94	GLP1R (0.79)	KEAP1GLP1RGCGRGIPRCALCR
SCHEMBL30310738	0.94	GLP1R (0.76)	KEAP1GLP1RGCGRGIPR
SCHEMBL29922531	0.94	GLP1R (0.76)	KEAP1GLP1RGCGRGIPR
SCHEMBL29922501	0.94	GLP1R (0.76)	KEAP1GLP1RGCGRGIPR
SCHEMBL31027142	0.93	GLP1R (0.75)	KEAP1GLP1RGCGRGIPRCALCR

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
US-11753627-B2	Dengue tetravalent vaccine containing a common 30 nucleotide deletion in the 3′-UTR of dengue types 1,2,3, and 4, or antigenic chimeric dengue viruses 1,2,3, and 4	THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US)	2023-09-12	—	—	US	disclosed