SCHEMBL30658246

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

nearest known ligand 0.79

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	13/20	0.79

▸	GCGR	P47871	8/20	0.72

▸	KEAP1	Q14145	1/20	0.72

▸	CALCR	P30988	3/20	0.70

▸	NPY1R	P25929	1/20	0.69

▸	NPY2R	P49146	1/20	0.69

▸	NPY4R	P50391	1/20	0.69

▸	NPY5R	Q15761	1/20	0.69

▸	GIPR	P48546	5/20	0.69

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	0.96	GLP1R (0.75)	GLP1RGCGRKEAP1CALCRNPY1R
SCHEMBL30771981	0.95	CALCR (0.77)	GLP1RGCGRKEAP1CALCRNPY1R
SCHEMBL30966637	0.94	GLP1R (0.76)	GLP1RGCGRCALCRNPY1RNPY2R
SCHEMBL30658208	0.94	GLP1R (0.72)	GLP1RGCGRKEAP1CALCRGIPR
SCHEMBL29508830	0.94	GLP1R (0.74)	GLP1RGCGRKEAP1CALCRNPY1R
SCHEMBL29755703	0.94	GLP1R (0.72)	GLP1RGCGRKEAP1CALCRNPY1R
SCHEMBL31217658	0.94	CALCR (0.75)	GLP1RGCGRKEAP1CALCRNPY1R
SCHEMBL31027131	0.93	CALCR (0.76)	GLP1RGCGRKEAP1CALCRNPY1R
SCHEMBL31182829	0.93	GLP1R (0.73)	GLP1RGCGRKEAP1CALCRNPY1R
SCHEMBL30578647	0.93	GLP1R (0.73)	GLP1RGCGRKEAP1CALCRNPY1R

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