SCHEMBL30429340

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.60

▸	OPRD1	P41143	4/20	0.60

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	NMUR2	Q9GZQ4	1/20	0.58

▸	NMUR1	Q9HB89	1/20	0.58

▸	OPRK1	P41145	2/20	0.58

▸	CALCR	P30988	5/20	0.57

▸	RAMP3	O60896	1/20	0.57

▸	F2	P00734	1/20	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
SCHEMBL29410248	0.93	NPY2R (0.62)	OPRM1OPRD1NPY2RNPY4RNPY5R
SCHEMBL31182741	0.91	CALCR (0.62)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL30726592	0.90	CALCR (0.62)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607374	0.89	CALCR (0.58)	OPRM1OPRD1NPY2RNPY4RNPY5R
SCHEMBL30428845	0.88	OPRM1 (0.63)	OPRM1OPRD1NMUR2NMUR1OPRK1
SCHEMBL30495657	0.88	EPHA2 (0.63)	NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL30974369	0.88	OPRD1 (0.62)	OPRM1OPRD1NPY2RNPY4RNPY5R
SCHEMBL30277946	0.88	CALCR (0.60)	CALCR
SCHEMBL30495704	0.88	CALCR (0.60)	OPRM1OPRD1NPY2RNPY4RNPY5R
SCHEMBL31232439	0.87	OPRM1 (0.63)	OPRM1OPRD1NPY2RNPY4RNPY5R

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