SCHEMBL30658281

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

nearest known ligand 0.64

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	8/20	0.64

▸	GLP1R	P43220	4/20	0.63

▸	CCKBR	P32239	1/20	0.63

▸	ECE1	P42892	1/20	0.63

▸	MUS81	Q96NY9	1/20	0.63

▸	RXFP1	Q9HBX9	4/20	0.62

▸	GCGR	P47871	1/20	0.61

▸	GIPR	P48546	1/20	0.61

▸	KEAP1	Q14145	1/20	0.60

▸	SLC2A1	P11166	2/20	0.59

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
SCHEMBL30658256	0.92	RXFP1 (0.69)	PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL31182670	0.90	PTH1R (0.67)	PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL30658330	0.90	GLP1R (0.70)	PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL30906408	0.89	RXFP1 (0.69)	PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL31182558	0.89	RXFP1 (0.72)	PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL30658299	0.89	KEAP1 (0.69)	PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL30906466	0.88	GLP1R (0.66)	GLP1RCCKBRECE1MUS81GCGR
SCHEMBL30906442	0.88	GLP1R (0.66)	GLP1RCCKBRECE1MUS81GCGR
SCHEMBL30432507	0.88	BACE1 (0.59)	PTH1RGLP1RCCKBRECE1MUS81
SCHEMBL30658210	0.88	GLP1R (0.65)	PTH1RGLP1RECE1MUS81GCGR

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