SCHEMBL30522300

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

nearest known ligand 0.62

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.62

▸	NPY2R	P49146	8/20	0.60

▸	NPY4R	P50391	8/20	0.60

▸	NPY5R	Q15761	8/20	0.60

▸	NPY1R	P25929	8/20	0.60

▸	AGTR1	P30556	1/20	0.58

▸	AGTR2	P50052	1/20	0.58

▸	NTSR2	O95665	2/20	0.56

▸	NTSR1	P30989	2/20	0.56

▸	MAPK8	P45983	1/20	0.55

▸	MAPK9	P45984	1/20	0.55

▸	MAPK10	P53779	1/20	0.55

▸	NMUR2	Q9GZQ4	1/20	0.54

▸	NMUR1	Q9HB89	1/20	0.54

▸	SLC6A2	P23975	1/20	0.54

▸	SORT1	Q99523	1/20	0.53

▸	OPRM1	P35372	1/20	0.53

▸	OPRD1	P41143	1/20	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
SCHEMBL30257770	0.94	NPY2R (0.60)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30607358	0.89	NPY2R (0.69)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30571125	0.88	MAPK8 (0.56)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30880904	0.87	EPHA2 (0.59)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29993834	0.87	NTSR1 (0.66)	NTSR2NTSR1SORT1
SCHEMBL30571139	0.87	NPY2R (0.58)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30640883	0.87	NPY2R (0.58)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL38661696	0.86	APLNR (0.57)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30571141	0.86	MAPK8 (0.59)	EPHA2AGTR1AGTR2NTSR2NTSR1
SCHEMBL30512543	0.86	NTSR2 (0.65)	NPY2RNPY4RNPY5RNPY1RNTSR2

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
EP-4218815-A2	USE OF ANTI IL-1BETA ANTIBODIES	Novartis AG (CH)	2023-08-02	—	—	EP	disclosed