SCHEMBL30487567

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR2	O95665	5/20	0.47

▸	NTSR1	P30989	5/20	0.47

▸	SORT1	Q99523	5/20	0.47

▸	OPRM1	P35372	6/20	0.45

▸	OPRK1	P41145	6/20	0.45

▸	F2	P00734	1/20	0.44

▸	C5AR1	P21730	1/20	0.44

▸	KDM1A	O60341	3/20	0.43

▸	MAOB	P27338	1/20	0.43

▸	KDM5A	P29375	1/20	0.43

▸	KDM1B	Q8NB78	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
SCHEMBL29887046	0.94	F2 (0.47)	NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL2946958	0.91	OPRM1 (0.44)	NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL2946942	0.91	OPRM1 (0.44)	NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL31196710	0.90	OPRM1 (0.49)	NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL30844348	0.89	NPY2R (0.48)	NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL2543718	0.89	F2 (0.47)	NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL2543722	0.89	F2 (0.47)	NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL30120960	0.89	OPRM1 (0.47)	OPRM1OPRK1KDM1A
SCHEMBL31099288	0.89	F2 (0.54)	NTSR2NTSR1SORT1OPRM1OPRK1
SCHEMBL29607267	0.89	F2 (0.54)	NTSR2NTSR1SORT1OPRM1OPRK1

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-11709157-B2	Charged-particle supply control method and device	SHIMADZU CORPORATION (JP)	2023-07-25	—	—	US	disclosed