SCHEMBL30571139

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.58

▸	NPY4R	P50391	8/20	0.58

▸	NPY5R	Q15761	8/20	0.58

▸	NPY1R	P25929	6/20	0.58

▸	EPHA2	P29317	2/20	0.56

▸	CALCRL	Q16602	1/20	0.55

▸	OPRM1	P35372	1/20	0.55

▸	OPRD1	P41143	1/20	0.55

▸	AGTR1	P30556	1/20	0.55

▸	AGTR2	P50052	1/20	0.55

▸	NTSR2	O95665	1/20	0.54

▸	NTSR1	P30989	1/20	0.54

▸	SORT1	Q99523	1/20	0.54

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
SCHEMBL30571128	0.94	CALCRL (0.57)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL29680141	0.92	NPY2R (0.57)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL29679909	0.92	NPY2R (0.56)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30176420	0.87	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1R
SCHEMBL30522300	0.87	EPHA2 (0.62)	NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL32677402	0.87	OPRM1 (0.61)	NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30433064	0.86	CALCR (0.61)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL29706447	0.85	SLC6A2 (0.56)	OPRM1OPRD1AGTR2NTSR2NTSR1
SCHEMBL29679890	0.85	OPRM1 (0.63)	NPY2RNPY4RNPY5RNPY1ROPRM1
SCHEMBL31453289	0.84	SLC6A2 (0.63)	OPRM1OPRD1NTSR2NTSR1SORT1

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-20230263881-A1	Vaccine compositions for SARS-related coronaviruses and methods of use	ASCIONE RICHARD (US)	2023-08-24	—	—	US	disclosed