SCHEMBL30658344

CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.68

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	KEAP1	Q14145	1/20	0.61

▸	GLP1R	P43220	9/20	0.58

▸	GCGR	P47871	5/20	0.58

▸	GIPR	P48546	5/20	0.58

▸	CCKBR	P32239	3/20	0.56

▸	F2	P00734	1/20	0.55

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
SCHEMBL30576894	0.89	CALCR (0.69)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL31182788	0.89	CALCR (0.66)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL2448693	0.89	CALCR (0.71)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30607444	0.88	CALCR (0.68)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL29767110	0.88	CALCR (0.82)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL30932076	0.87	CALCR (0.82)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29652666	0.87	CALCR (0.66)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31182887	0.87	CALCR (0.76)	CALCRCRHR1CRHR2GLP1RCCKBR
SCHEMBL31461982	0.86	CALCRL (0.56)	CALCRCRHR1CRHR2KEAP1
SCHEMBL30495670	0.86	CALCR (0.69)	CALCRCRHR1CRHR2GLP1RGCGR

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