SCHEMBL30429012

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

nearest known ligand 0.69

Predicted protein targets (top 10)

	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

▸	EP300	Q09472	1/20	0.62

▸	HIF1A	Q16665	1/20	0.62

▸	EPHA2	P29317	2/20	0.58

▸	CALCR	P30988	5/20	0.57

▸	RAMP3	O60896	3/20	0.57

▸	TFPI	P10646	2/20	0.57

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
SCHEMBL30648458	0.91	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30906476	0.91	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182752	0.90	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30824282	0.89	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30436941	0.88	CALCR (0.64)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30906377	0.88	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30888269	0.88	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30712939	0.88	EP300 (0.67)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30277961	0.87	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182629	0.87	MAPK8 (0.68)	NPY2RNPY4RNPY5RNPY1REP300

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