SCHEMBL30429446

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

	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

▸	CALCR	P30988	4/20	0.64

▸	OPRM1	P35372	2/20	0.61

▸	OPRD1	P41143	2/20	0.61

▸	OPRK1	P41145	2/20	0.61

▸	HCRTR1	O43613	1/20	0.60

▸	HCRTR2	O43614	1/20	0.60

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	NTSR1	P30989	1/20	0.58

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
SCHEMBL30073930	0.91	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182878	0.91	CALCR (0.70)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30435444	0.90	OPRD1 (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432729	0.90	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182993	0.90	OPRM1 (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607403	0.90	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30429255	0.90	CALCR (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29479889	0.89	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607331	0.89	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495668	0.89	CALCR (0.74)	NPY2RNPY4RNPY5RNPY1RCALCR

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