SCHEMBL30495677

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)O

nearest known ligand 0.72

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.72

▸	NPY2R	P49146	1/20	0.72

▸	NPY4R	P50391	1/20	0.72

▸	NPY5R	Q15761	1/20	0.72

▸	GLP1R	P43220	14/20	0.70

▸	CCKBR	P32239	2/20	0.70

▸	CALCR	P30988	4/20	0.69

▸	GCGR	P47871	9/20	0.65

▸	GIPR	P48546	6/20	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
SCHEMBL29811055	0.94	GLP1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658362	0.93	NMBR (0.65)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658235	0.93	NPY2R (0.73)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658355	0.92	GLP1R (0.67)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30571153	0.92	NMBR (0.65)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658391	0.91	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31073551	0.91	NPY1R (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182577	0.90	GLP1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29588160	0.90	CALCR (0.66)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29588702	0.90	CALCR (0.64)	NPY1RNPY2RNPY4RNPY5RGLP1R

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