SCHEMBL10875352

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PSEN1	P49768	9/20	0.75

▸	PSEN2	P49810	9/20	0.75

▸	APH1B	Q8WW43	9/20	0.75

▸	NCSTN	Q92542	9/20	0.75

▸	APH1A	Q96BI3	9/20	0.75

▸	PSENEN	Q9NZ42	9/20	0.75

▸	APP	P05067	1/20	0.75

▸	REN	P00797	10/20	0.71

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
SCHEMBL23133272	0.96	PSEN1 (0.81)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12226233	0.96	PSEN1 (0.81)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17935524	0.96	PSEN1 (0.81)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3197800	0.96	PSEN1 (0.81)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25901325	0.96	PSEN1 (0.81)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7298803	0.92	PSEN1 (0.75)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7296995	0.92	PSEN1 (0.85)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7285667	0.90	PSEN1 (0.67)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23476667	0.90	PSEN1 (0.76)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7290020	0.89	PSEN1 (0.70)	PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-0206090-A2	Peptide renin inhibitors	MERCK & CO. INC. (US)	1986-12-30	—	—	EP	disclosed