SCHEMBL30429680

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=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](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	EP300	Q09472	1/20	0.61

▸	HIF1A	Q16665	1/20	0.61

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	KEAP1	Q14145	1/20	0.56

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	GLP1R	P43220	4/20	0.55

▸	GCGR	P47871	2/20	0.55

▸	GIPR	P48546	2/20	0.55

▸	CALCR	P30988	4/20	0.54

▸	CXCR4	P61073	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
SCHEMBL29679870	0.90	MAPK8 (0.54)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30906560	0.88	NPY2R (0.61)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30906392	0.88	NPY2R (0.61)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31182641	0.88	MAPK8 (0.63)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30495583	0.88	NPY2R (0.65)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL29614950	0.87	RAMP3 (0.63)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29593192	0.87	NPY2R (0.61)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31182959	0.86	MAPK8 (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL29679520	0.86	MAPK8 (0.65)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31020752	0.86	NPY2R (0.64)	EP300HIF1ANPY2RNPY4RNPY5R

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