SCHEMBL9848654

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

nearest known ligand 0.55

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	18/20	0.55

▸	CTSD	P07339	5/20	0.55

▸	BACE2	Q9Y5Z0	2/20	0.49

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
SCHEMBL29368320	0.96	BACE1 (0.51)	BACE1CTSDBACE2
SCHEMBL29387347	0.92	BACE1 (0.51)	BACE1CTSDBACE2
SCHEMBL30578952	0.91	BACE1 (0.52)	BACE1CTSDBACE2
SCHEMBL30602869	0.90	BACE1 (0.46)	BACE1CTSD
SCHEMBL29532168	0.90	BACE1 (0.46)	BACE1CTSD
SCHEMBL29414635	0.89	BACE1 (0.58)	BACE1CTSDBACE2
SCHEMBL29531524	0.89	NTSR2 (0.45)	BACE1CTSDBACE2
SCHEMBL29384387	0.89	NTSR2 (0.45)	BACE1CTSDBACE2
SCHEMBL10381547	0.88	FURIN (0.48)	BACE1CTSDBACE2
SCHEMBL10381550	0.88	FURIN (0.48)	BACE1CTSDBACE2

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
EP-0438873-A1	Inhibitor of ribonucleotide reductase of herpes viruses	MERCK & CO. INC. (US)	1991-07-31	—	—	EP	disclosed