SCHEMBL2026306

C[C@H](Nc1cc(-c2nnc([C@](C)(NC(=O)O)C(c3ccccc3)C(C)(C)C)o2)cc(N(C)S(C)(=O)=O)n1)[C@H]1C[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	12/20	0.38

▸	BACE2	Q9Y5Z0	1/20	0.37

▸	MAPK1	P28482	1/20	0.31

▸	HDAC1	Q13547	1/20	0.30

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
SCHEMBL2024047	0.89	BACE1 (0.36)	BACE1MAPK1
SCHEMBL4941408	0.85	BACE1 (0.46)	BACE1BACE2HDAC1
SCHEMBL2023991	0.83	BACE1 (0.41)	BACE1BACE2MAPK1HDAC1
SCHEMBL12578561	0.81	BACE1 (0.56)	BACE1BACE2
SCHEMBL2021556	0.81	BACE1 (0.56)	BACE1BACE2
SCHEMBL12578732	0.81	BACE1 (0.56)	BACE1BACE2
SCHEMBL14350445	0.81	BACE1 (0.56)	BACE1BACE2
SCHEMBL2021554	0.81	BACE1 (0.56)	BACE1BACE2
SCHEMBL2026110	0.81	BACE1 (0.40)	BACE1BACE2HDAC1
SCHEMBL2026305	0.81	BACE1 (0.46)	BACE1BACE2

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-7968571-B2	2,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's Disease	Merck, Sharp & Dohme, Corp. (US)	2011-06-28	—	—	US	disclosed