SCHEMBL23639488

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	FURIN	P09958	4/20	0.47

▸	PRSS1	P07477	1/20	0.45

▸	ERAP2	Q6P179	1/20	0.43

▸	ERAP1	Q9NZ08	1/20	0.43

▸	LNPEP	Q9UIQ6	1/20	0.43

▸	PCSK6	P29122	1/20	0.42

▸	OPRM1	P35372	3/20	0.42

▸	OPRD1	P41143	3/20	0.42

▸	NPBWR1	P48145	1/20	0.39

▸	OPRK1	P41145	1/20	0.39

▸	CTSB	P07858	1/20	0.39

▸	CPB2	Q96IY4	1/20	0.38

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
SCHEMBL23154857	1.00	FURIN (0.47)	FURINPRSS1ERAP2ERAP1LNPEP
SCHEMBL30817641	0.90	OPRM1 (0.45)	FURINPRSS1OPRM1OPRD1NPBWR1
SCHEMBL29591847	0.88	ERAP2 (0.48)	FURINERAP2ERAP1LNPEPPCSK6
SCHEMBL31193414	0.88	ERAP2 (0.50)	FURINERAP2ERAP1LNPEPPCSK6
SCHEMBL30259455	0.87	FURIN (0.46)	FURINPRSS1
SCHEMBL30532205	0.86	FURIN (0.49)	FURINPRSS1ERAP2ERAP1LNPEP
SCHEMBL31041715	0.86	FURIN (0.46)	FURINPRSS1OPRM1OPRD1OPRK1
SCHEMBL30441875	0.85	NPY4R (0.47)	OPRM1OPRD1NPBWR1OPRK1
SCHEMBL23639482	0.85	NMT1 (0.51)	FURINERAP2ERAP1LNPEPOPRM1
SCHEMBL30997375	0.84	GLP1R (0.46)	FURINOPRM1OPRD1OPRK1

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-20210217474-A1	STORAGE OF INFORMATION USING MIXTURES OF MOLECULES	PRESIDENT AND FELLOWS OF HARVARD COLLEGE	2021-07-15	—	—	US	disclosed