SCHEMBL30658350

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	14/20	0.66

▸	CALCR	P30988	3/20	0.65

▸	CCKBR	P32239	1/20	0.65

▸	PTH1R	Q03431	1/20	0.64

▸	KEAP1	Q14145	1/20	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
SCHEMBL30658269	0.95	CALCR (0.68)	GLP1RCALCRCCKBRPTH1RKEAP1
SCHEMBL31182893	0.93	PTH1R (0.67)	GLP1RCALCRCCKBRPTH1RKEAP1
SCHEMBL30658232	0.92	GLP1R (0.67)	GLP1RCALCRCCKBR
SCHEMBL29949645	0.92	PTH1R (0.68)	GLP1RCCKBRPTH1RKEAP1
SCHEMBL31295721	0.92	GLP1R (0.71)	GLP1R
SCHEMBL30358210	0.92	GLP1R (0.74)	GLP1RCCKBR
SCHEMBL30518506	0.92	GLP1R (0.74)	GLP1RCCKBR
SCHEMBL30644874	0.91	GLP1R (0.72)	GLP1RCCKBR
SCHEMBL30358209	0.91	GLP1R (0.74)	GLP1RCCKBR
SCHEMBL30422899	0.91	GLP1R (0.72)	GLP1RCCKBRPTH1RKEAP1

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