SCHEMBL11026589

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N(C(=O)C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KLK5	Q9Y337	1/20	0.53

▸	PSEN1	P49768	7/20	0.52

▸	PSEN2	P49810	7/20	0.52

▸	APH1B	Q8WW43	7/20	0.52

▸	NCSTN	Q92542	7/20	0.52

▸	APH1A	Q96BI3	7/20	0.52

▸	PSENEN	Q9NZ42	7/20	0.52

▸	REN	P00797	9/20	0.49

▸	CTSD	P07339	2/20	0.49

▸	APP	P05067	1/20	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
SCHEMBL11023324	0.85	MEN1 (0.48)	RENCTSD
SCHEMBL10749286	0.80	CTSD (0.52)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8073093	0.79	REN (0.68)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL28376535	0.79	REN (0.68)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL30789039	0.79	REN (0.68)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7319373	0.79	REN (0.68)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL18171935	0.79	REN (0.68)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8894644	0.79	MMP2 (0.48)	—
SCHEMBL8894053	0.79	REN (0.47)	RENCTSD
SCHEMBL23106755	0.77	REN (0.68)	KLK5PSEN1PSEN2APH1BNCSTN

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0077029-B1	RENIN INHIBITORY PEPTIDES	MERCK & CO. INC. (US)	1985-08-21	—	—	EP	disclosed
US-4384994-A	HYPOTENSIVE AND HYPOALDOSTERONE AGENTS	MERCK & CO., INC. (US)	1983-05-24	—	—	US	disclosed
EP-0077029-A2	Renin inhibitory peptides	MERCK & CO. INC. (US)	1983-04-20	—	—	EP	disclosed