SCHEMBL30429249

CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.65

▸	NPY4R	P50391	8/20	0.65

▸	NPY5R	Q15761	8/20	0.65

▸	NPY1R	P25929	6/20	0.65

▸	RAMP3	O60896	1/20	0.63

▸	CALCR	P30988	1/20	0.63

▸	KDM1A	O60341	3/20	0.62

▸	TFPI	P10646	4/20	0.60

▸	EPHA2	P29317	2/20	0.59

▸	MAOB	P27338	1/20	0.59

▸	KDM5A	P29375	1/20	0.59

▸	KDM1B	Q8NB78	1/20	0.59

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
SCHEMBL29396082	0.93	RAMP3 (0.64)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31182494	0.92	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30176462	0.90	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31027702	0.90	EPHA2 (0.65)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30495735	0.90	RAMP3 (0.67)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29396808	0.89	RAMP3 (0.60)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30834205	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30495690	0.89	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31174223	0.87	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30262082	0.87	RAMP3 (0.65)	NPY2RNPY4RNPY5RNPY1RRAMP3

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