SCHEMBL30495754

C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.49

▸	NPY4R	P50391	7/20	0.49

▸	NPY5R	Q15761	7/20	0.49

▸	NPY1R	P25929	5/20	0.49

▸	CALCRL	Q16602	1/20	0.48

▸	OPRM1	P35372	2/20	0.46

▸	OPRD1	P41143	2/20	0.46

▸	OPRK1	P41145	2/20	0.46

▸	CALCR	P30988	7/20	0.45

▸	CXCR4	P61073	1/20	0.45

▸	RAMP3	O60896	3/20	0.45

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
SCHEMBL38659585	0.87	RAMP3 (0.46)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL38659138	0.87	RAMP3 (0.46)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30432896	0.86	CALCRL (0.51)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30571129	0.85	CAPN1 (0.52)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30320570	0.85	NPY2R (0.49)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30537472	0.85	NPY2R (0.50)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30537480	0.85	NPY2R (0.50)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL30512652	0.84	NTSR2 (0.45)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL31031453	0.84	CAPN1 (0.52)	OPRK1CALCRRAMP3
SCHEMBL30733265	0.84	OPRM1 (0.48)	CALCRLOPRM1OPRD1OPRK1CALCR

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