SCHEMBL7332272

CC(=O)N(C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](CC(N)=O)C(=O)NC(C(=O)N[C@H]([C]=O)C(C)C)C(O)CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	18/20	0.38

▸	CTSD	P07339	4/20	0.38

▸	CTSE	P14091	3/20	0.35

▸	BACE2	Q9Y5Z0	2/20	0.35

▸	MAGI3	Q5TCQ9	1/20	0.34

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
SCHEMBL7325549	0.86	BACE1 (0.45)	BACE1CTSDCTSE
SCHEMBL7331131	0.82	REN (0.35)	BACE1CTSDCTSE
SCHEMBL7332264	0.81	MAGI3 (0.43)	BACE1CTSDBACE2MAGI3
SCHEMBL7330209	0.73	BACE1 (0.51)	BACE1CTSDCTSE
SCHEMBL7328124	0.73	BACE1 (0.51)	BACE1CTSDCTSE
SCHEMBL7328119	0.73	BACE1 (0.51)	BACE1CTSDCTSE
SCHEMBL7320115	0.73	REN (0.40)	BACE1CTSDCTSE
SCHEMBL7326552	0.71	REN (0.34)	BACE1CTSDCTSE
SCHEMBL7331125	0.69	CTSD (0.43)	CTSDCTSE
SCHEMBL2185034	0.68	TASP1 (0.42)	BACE1MAGI3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1990000399-A1	RETROVIRAL PROTEASE BINDING PEPTIDES	SMITHKLINE BECKMAN CORPORATION (US)	1990-01-25	—	—	WO	disclosed
EP-0352000-A2	Retroviral protease binding peptides	SMITHKLINE BEECHAM CORPORATION (US)	1990-01-24	—	—	EP	disclosed