SCHEMBL7325549

CC(=O)N(C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](CC(N)=O)C(=O)NC(Cc1ccccc1)C(O)CC(=O)N[C@H]([C]=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	12/20	0.45

▸	CTSD	P07339	12/20	0.45

▸	CTSE	P14091	11/20	0.45

▸	REN	P00797	2/20	0.40

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
SCHEMBL7328124	0.88	BACE1 (0.51)	BACE1CTSDCTSEREN
SCHEMBL7330209	0.88	BACE1 (0.51)	BACE1CTSDCTSEREN
SCHEMBL7328119	0.88	BACE1 (0.51)	BACE1CTSDCTSEREN
SCHEMBL7332272	0.86	BACE1 (0.38)	BACE1CTSDCTSE
SCHEMBL7325544	0.81	BACE1 (0.51)	BACE1CTSDCTSEREN
SCHEMBL7320115	0.80	REN (0.40)	BACE1CTSDCTSEREN
SCHEMBL7327920	0.76	CTSD (0.45)	BACE1CTSDREN
SCHEMBL7331131	0.73	REN (0.35)	BACE1CTSDCTSEREN
SCHEMBL7326552	0.73	REN (0.34)	BACE1CTSDCTSEREN
SCHEMBL7325118	0.70	CTSD (0.50)	CTSDREN

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 4 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	claimed
EP-0352000-A2	Retroviral protease binding peptides	SMITHKLINE BEECHAM CORPORATION (US)	1990-01-24	—	—	EP	claimed
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