SCHEMBL30495604

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	12/20	0.71

▸	KEAP1	Q14145	1/20	0.68

▸	GCGR	P47871	8/20	0.66

▸	GIPR	P48546	5/20	0.66

▸	NPY1R	P25929	1/20	0.66

▸	NPY2R	P49146	1/20	0.66

▸	NPY4R	P50391	1/20	0.66

▸	NPY5R	Q15761	1/20	0.66

▸	PTH1R	Q03431	4/20	0.65

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
SCHEMBL30495698	0.93	GLP1R (0.66)	GLP1RKEAP1GCGRGIPRNPY1R
Cecropin A SCHEMBL29361111	0.92	KEAP1 (0.67)	GLP1RKEAP1GCGRGIPRNPY1R
SCHEMBL30045080	0.92	GLP1R (0.79)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30658268	0.91	GLP1R (0.69)	GLP1RKEAP1GCGRGIPRNPY1R
SCHEMBL30029149	0.91	GLP1R (0.68)	GLP1RGCGRGIPRPTH1R
SCHEMBL30029354	0.91	GLP1R (0.68)	GLP1RGCGRGIPRPTH1R
SCHEMBL31182766	0.91	PTH1R (0.73)	GLP1RKEAP1NPY1RNPY2RNPY4R
SCHEMBL30029549	0.90	GLP1R (0.76)	GLP1RGCGRGIPR
SCHEMBL30536952	0.90	GLP1R (0.70)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL29880262	0.90	PTH1R (0.63)	GLP1RGCGRGIPRNPY1RNPY2R

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed