SCHEMBL30571128

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](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	1/20	0.57

▸	AGTR1	P30556	1/20	0.54

▸	AGTR2	P50052	1/20	0.54

▸	OPRM1	P35372	1/20	0.54

▸	OPRD1	P41143	1/20	0.54

▸	OPRK1	P41145	1/20	0.54

▸	NTSR1	P30989	3/20	0.54

▸	NTSR2	O95665	2/20	0.54

▸	SORT1	Q99523	2/20	0.54

▸	SLC6A2	P23975	1/20	0.54

▸	NPY2R	P49146	5/20	0.53

▸	NPY4R	P50391	5/20	0.53

▸	NPY5R	Q15761	5/20	0.53

▸	NPY1R	P25929	3/20	0.53

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
SCHEMBL30571139	0.94	NPY2R (0.58)	CALCRLAGTR1AGTR2OPRM1OPRD1
SCHEMBL29679909	0.94	NPY2R (0.56)	CALCRLAGTR1AGTR2NTSR1NTSR2
SCHEMBL29680141	0.93	NPY2R (0.57)	CALCRLAGTR1AGTR2NTSR1NTSR2
SCHEMBL30433064	0.88	CALCR (0.61)	OPRM1OPRD1OPRK1NPY2RNPY4R
SCHEMBL30571146	0.87	CRHR1 (0.60)	CALCRLAGTR1AGTR2NTSR1NTSR2
SCHEMBL31453289	0.86	SLC6A2 (0.63)	OPRM1OPRD1OPRK1NTSR1NTSR2
SCHEMBL29530950	0.85	SLC6A2 (0.70)	CALCRLOPRM1OPRD1OPRK1NTSR1
SCHEMBL29530789	0.85	SLC6A2 (0.70)	CALCRLOPRM1OPRD1OPRK1NTSR1
SCHEMBL30240005	0.85	NTSR1 (0.62)	AGTR1AGTR2OPRM1OPRD1OPRK1
SCHEMBL29392847	0.84	SLC6A2 (0.60)	OPRM1OPRD1OPRK1NTSR1NTSR2

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