SCHEMBL30429358

CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.59

▸	NPY4R	P50391	8/20	0.59

▸	NPY5R	Q15761	8/20	0.59

▸	NPY1R	P25929	6/20	0.59

▸	MAPK8	P45983	1/20	0.55

▸	MAPK9	P45984	1/20	0.55

▸	MAPK10	P53779	1/20	0.55

▸	EP300	Q09472	1/20	0.53

▸	HIF1A	Q16665	1/20	0.53

▸	KEAP1	Q14145	1/20	0.51

▸	RAMP3	O60896	6/20	0.50

▸	CALCR	P30988	6/20	0.50

▸	KDM1A	O60341	1/20	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
SCHEMBL30358164	0.93	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30607296	0.91	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30576900	0.90	NPY2R (0.59)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30726569	0.89	RAMP3 (0.63)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL8365216	0.89	NPY2R (0.50)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30338867	0.89	MAPK8 (0.53)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29479782	0.88	EP300 (0.60)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL29680199	0.88	MAPK8 (0.54)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30607416	0.88	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30974406	0.87	RAMP3 (0.55)	NPY2RNPY4RNPY5RNPY1RMAPK8

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-20230165951-A1	Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19	MAMEDOV TARLAN (TR)	2023-06-01	—	—	US	disclosed