SCHEMBL7942950

CCCc1cccc(OC[C@H](NC(=O)c2cc(N(C)C[C@H]3C[C@@H]3C)nc(N(C)S(=O)(=O)C(C)C)c2)[C@H](O)CNCc2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	20/20	0.54

▸	CYP3A4	P08684	1/20	0.39

▸	CTSD	P07339	3/20	0.39

▸	BACE2	Q9Y5Z0	1/20	0.39

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
SCHEMBL7944611	0.91	BACE1 (0.56)	BACE1CTSDBACE2
SCHEMBL7945877	0.88	BACE1 (0.59)	BACE1CYP3A4CTSDBACE2
SCHEMBL7945875	0.88	BACE1 (0.59)	BACE1CYP3A4CTSDBACE2
SCHEMBL7938124	0.86	BACE1 (0.56)	BACE1CYP3A4CTSDBACE2
SCHEMBL7937037	0.84	BACE1 (0.54)	BACE1CYP3A4CTSDBACE2
SCHEMBL7945881	0.82	BACE1 (0.52)	BACE1CTSDBACE2
SCHEMBL7946170	0.82	BACE1 (0.53)	BACE1CYP3A4CTSDBACE2
SCHEMBL7947060	0.82	BACE1 (0.56)	BACE1
SCHEMBL7945097	0.82	BACE1 (0.56)	BACE1
SCHEMBL7942893	0.81	BACE1 (0.55)	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
WO-2010042030-A1	ASPARTYL PROTEASE INHIBITORS	MEDIVIR AB (SE)	2010-04-15	—	—	WO	disclosed