SCHEMBL30428981

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

nearest known ligand 0.63

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	10/20	0.59

▸	NTSR2	O95665	8/20	0.59

▸	SORT1	Q99523	4/20	0.59

▸	OPRM1	P35372	1/20	0.57

▸	NMUR2	Q9GZQ4	1/20	0.55

▸	SLC6A2	P23975	1/20	0.53

▸	NPY1R	P25929	1/20	0.53

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
SCHEMBL29714014	0.92	NTSR1 (0.64)	NTSR1NTSR2SORT1OPRM1NMUR2
SCHEMBL30802597	0.89	NTSR1 (0.60)	NTSR1NTSR2SORT1OPRM1NMUR2
SCHEMBL30350851	0.88	SLC6A2 (0.57)	NTSR1NTSR2SORT1OPRM1SLC6A2
SCHEMBL30385288	0.87	NTSR1 (0.60)	NTSR1NTSR2SORT1OPRM1NMUR2
SCHEMBL31575703	0.87	NTSR1 (0.60)	NTSR1NTSR2SORT1OPRM1SLC6A2
SCHEMBL30974423	0.86	NTSR1 (0.58)	NTSR1NTSR2SORT1OPRM1NPY1R
SCHEMBL30974385	0.86	CALCRL (0.59)	NTSR1NTSR2SORT1OPRM1SLC6A2
SCHEMBL30262120	0.86	NTSR1 (0.59)	NTSR1NTSR2SORT1SLC6A2NPY1R
SCHEMBL30385275	0.86	NTSR1 (0.64)	NTSR1NTSR2SORT1OPRM1
SCHEMBL30745223	0.85	SLC6A2 (0.56)	NTSR1NTSR2SORT1NMUR2SLC6A2

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