SCHEMBL30658384

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

nearest known ligand 0.71

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	4/20	0.71

▸	GLP1R	P43220	11/20	0.69

▸	PTH1R	Q03431	3/20	0.68

▸	CCKBR	P32239	1/20	0.68

▸	KEAP1	Q14145	1/20	0.68

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
SCHEMBL30658365	0.96	PTH1R (0.69)	RXFP1GLP1RPTH1RCCKBRKEAP1
SCHEMBL30657454	0.94	GLP1R (0.75)	GLP1RPTH1RCCKBR
SCHEMBL31140017	0.94	GLP1R (0.77)	GLP1RCCKBR
SCHEMBL30449142	0.93	PTH1R (0.77)	RXFP1GLP1RPTH1RCCKBRKEAP1
SCHEMBL29540315	0.93	GLP1R (0.76)	GLP1RPTH1RCCKBR
SCHEMBL31099253	0.93	GLP1R (0.76)	GLP1RPTH1RCCKBR
SCHEMBL31439252	0.93	PTH1R (0.73)	RXFP1GLP1RPTH1RCCKBRKEAP1
SCHEMBL31099255	0.93	GLP1R (0.75)	GLP1RPTH1RCCKBRKEAP1
SCHEMBL29385782	0.93	GLP1R (0.73)	GLP1RPTH1RCCKBRKEAP1
Teduglutide SCHEMBL29393085	0.93	GLP1R (0.73)	GLP1RPTH1RCCKBR

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