SCHEMBL30658231

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

nearest known ligand 0.70

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	17/20	0.70

▸	PTH1R	Q03431	2/20	0.69

▸	KEAP1	Q14145	1/20	0.69

▸	CCKBR	P32239	1/20	0.67

▸	ECE1	P42892	1/20	0.66

▸	MUS81	Q96NY9	1/20	0.66

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
SCHEMBL30495713	0.94	GLP1R (0.74)	GLP1RPTH1RKEAP1CCKBRECE1
SCHEMBL30658218	0.94	GLP1R (0.74)	GLP1RKEAP1CCKBRECE1MUS81
SCHEMBL31182447	0.92	PTH1R (0.73)	GLP1RPTH1RKEAP1CCKBR
SCHEMBL29743016	0.92	GLP1R (0.69)	GLP1RKEAP1ECE1MUS81
SCHEMBL30691823	0.92	GLP1R (0.71)	GLP1RECE1MUS81
SCHEMBL29548460	0.92	GLP1R (0.71)	GLP1RECE1MUS81
SCHEMBL28980125	0.91	PTH1R (0.80)	GLP1RPTH1RKEAP1CCKBR
Teriparatide SCHEMBL30448707	0.91	PTH1R (0.80)	GLP1RPTH1RKEAP1CCKBR
Teriparatide SCHEMBL30645329	0.91	PTH1R (0.80)	GLP1RPTH1RKEAP1CCKBR
SCHEMBL30255063	0.91	PTH1R (0.80)	GLP1RPTH1RKEAP1CCKBR

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