SCHEMBL30495697

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

nearest known ligand 0.68

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.68

▸	NPY2R	P49146	1/20	0.68

▸	NPY4R	P50391	1/20	0.68

▸	NPY5R	Q15761	1/20	0.68

▸	GLP1R	P43220	12/20	0.64

▸	GIPR	P48546	6/20	0.64

▸	CALCA	P06881	2/20	0.64

▸	CXCR4	P61073	1/20	0.63

▸	PTH1R	Q03431	1/20	0.63

▸	GCGR	P47871	3/20	0.62

▸	KEAP1	Q14145	1/20	0.62

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
SCHEMBL31183030	0.92	NPY1R (0.67)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30906372	0.91	GLP1R (0.64)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658309	0.91	KEAP1 (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29949636	0.91	NPY1R (0.71)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182835	0.91	CXCR4 (0.62)	GLP1RGIPRCALCACXCR4PTH1R
SCHEMBL31182589	0.91	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29625326	0.90	NPY1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29352195	0.90	NPY2R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30906504	0.90	GLP1R (0.66)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658345	0.89	NPY2R (0.71)	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