SCHEMBL30428962

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](CO)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.53

▸	NTSR2	O95665	10/20	0.53

▸	MAOB	P27338	1/20	0.49

▸	KDM5A	P29375	1/20	0.49

▸	KDM1B	Q8NB78	1/20	0.49

▸	NTSR1	P30989	3/20	0.46

▸	TACR1	P25103	1/20	0.44

▸	GHSR	Q92847	1/20	0.44

▸	SORT1	Q99523	1/20	0.43

▸	EED	O75530	1/20	0.43

▸	NMUR2	Q9GZQ4	1/20	0.43

▸	OPRM1	P35372	1/20	0.43

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
SCHEMBL30880896	0.91	KDM1A (0.53)	KDM1ANTSR2MAOBKDM5AKDM1B
SCHEMBL30974175	0.89	KDM1A (0.59)	KDM1ANTSR2MAOBKDM5AKDM1B
SCHEMBL29939531	0.87	BACE1 (0.53)	KDM1ANTSR2MAOBKDM5AKDM1B
SCHEMBL30665641	0.86	NTSR2 (0.51)	KDM1ANTSR2NTSR1GHSR
SCHEMBL27986189	0.86	NTSR2 (0.54)	NTSR2EEDNMUR2
SCHEMBL27986181	0.86	NTSR2 (0.54)	NTSR2EEDNMUR2
SCHEMBL30750436	0.85	NTSR2 (0.60)	NTSR2NTSR1GHSRSORT1EED
SCHEMBL29612189	0.85	KDM1A (0.55)	KDM1ANTSR2MAOBKDM5AKDM1B
SCHEMBL30512701	0.85	KDM1A (0.50)	KDM1AMAOBKDM5AKDM1B
SCHEMBL30248946	0.84	NTSR2 (0.55)	NTSR2NTSR1GHSRSORT1EED

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