SCHEMBL30495649

CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.50

▸	NPY4R	P50391	7/20	0.50

▸	NPY5R	Q15761	7/20	0.50

▸	NPY1R	P25929	5/20	0.50

▸	CALCRL	Q16602	3/20	0.50

▸	CALCR	P30988	6/20	0.50

▸	OPRM1	P35372	2/20	0.49

▸	OPRD1	P41143	2/20	0.49

▸	OPRK1	P41145	2/20	0.49

▸	RAMP1	O60894	1/20	0.48

▸	CXCR4	P61073	1/20	0.48

▸	RAMP3	O60896	2/20	0.48

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
SCHEMBL30930139	0.87	CALCR (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495619	0.87	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182632	0.87	CALCR (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29844485	0.87	CALCRL (0.48)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30930173	0.86	NPY2R (0.53)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30844365	0.86	F2 (0.47)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL8838927	0.85	CALCRL (0.46)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL8838938	0.85	CALCRL (0.46)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30930186	0.85	RAMP3 (0.55)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30242243	0.85	CXCR4 (0.53)	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