SCHEMBL30658317

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

nearest known ligand 0.79

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	13/20	0.71

▸	GCGR	P47871	3/20	0.71

▸	CALCR	P30988	3/20	0.69

▸	CCKBR	P32239	4/20	0.65

▸	NMBR	P28336	1/20	0.65

▸	GRPR	P30550	1/20	0.65

▸	CRHR1	P34998	1/20	0.64

▸	CRHR2	Q13324	1/20	0.64

▸	GIPR	P48546	6/20	0.63

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
SCHEMBL31182561	0.92	GLP1R (0.68)	GLP1RGCGRCCKBRNMBRGRPR
SCHEMBL30901423	0.92	GLP1R (0.70)	GLP1RGCGRCALCRCCKBRGIPR
SCHEMBL30537032	0.91	CALCR (0.78)	GLP1RGCGRCALCRCCKBRNMBR
SCHEMBL30658354	0.91	CALCR (0.79)	GLP1RGCGRCALCRCCKBRNMBR
SCHEMBL30658381	0.90	GLP1R (0.67)	GLP1RGCGRCALCRCCKBR
SCHEMBL30595937	0.89	GLP1R (0.74)	GLP1RGCGRCALCRNMBRGRPR
SCHEMBL30422794	0.89	GLP1R (0.74)	GLP1RGCGRCALCRGIPR
SCHEMBL30658237	0.89	CALCR (0.76)	GLP1RGCGRCALCRCCKBRGIPR
SCHEMBL30932077	0.89	CALCR (0.76)	GLP1RGCGRCALCRCCKBRGIPR
SCHEMBL29634488	0.89	CALCR (0.75)	GLP1RGCGRCALCRCCKBRGIPR

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