SCHEMBL30495696

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.60

▸	NPY4R	P50391	8/20	0.60

▸	NPY5R	Q15761	8/20	0.60

▸	NPY1R	P25929	6/20	0.60

▸	CALCR	P30988	9/20	0.57

▸	RAMP3	O60896	6/20	0.57

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
SCHEMBL29771673	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30262212	0.92	CALCR (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182565	0.91	CXCR4 (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432430	0.91	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432634	0.91	CALCR (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29949425	0.90	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29903323	0.89	APLNR (0.58)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495627	0.89	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182495	0.89	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495819	0.89	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RCALCR

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