SCHEMBL30429118

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

nearest known ligand 0.59

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	2/20	0.56

▸	CALCR	P30988	7/20	0.56

▸	OPRM1	P35372	1/20	0.52

▸	OPRD1	P41143	1/20	0.52

▸	RAMP3	O60896	3/20	0.52

▸	NMUR2	Q9GZQ4	3/20	0.52

▸	NMUR1	Q9HB89	3/20	0.52

▸	KEAP1	Q14145	2/20	0.52

▸	APLNR	P35414	1/20	0.51

▸	FCGRT	P55899	2/20	0.51

▸	STAT3	P40763	1/20	0.50

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
SCHEMBL30158799	0.89	OPRM1 (0.59)	NTSR1OPRM1OPRD1NMUR2NMUR1
SCHEMBL30433007	0.88	CALCR (0.65)	NTSR1CALCRRAMP3NMUR2NMUR1
SCHEMBL31031539	0.88	CALCR (0.63)	CALCROPRM1OPRD1KEAP1
SCHEMBL29516785	0.88	CALCR (0.64)	NTSR1CALCROPRM1OPRD1
SCHEMBL31332122	0.88	CALCR (0.64)	NTSR1CALCROPRM1OPRD1
SCHEMBL30712942	0.87	APLNR (0.59)	CALCRRAMP3APLNR
SCHEMBL30567243	0.87	APLNR (0.58)	CALCRRAMP3NMUR2NMUR1APLNR
SCHEMBL11651860	0.87	CALCR (0.64)	NTSR1CALCROPRM1OPRD1
SCHEMBL30607412	0.87	CALCR (0.62)	CALCROPRM1OPRD1RAMP3
SCHEMBL30785950	0.86	OPRM1 (0.57)	NTSR1OPRM1OPRD1NMUR2NMUR1

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