SCHEMBL9848616

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	16/20	0.57

▸	BACE2	Q9Y5Z0	5/20	0.55

▸	CTSD	P07339	2/20	0.51

▸	CASP3	P42574	1/20	0.51

▸	CASP7	P55210	1/20	0.51

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
SCHEMBL9848695	0.93	BACE1 (0.50)	BACE1BACE2CTSDCASP3CASP7
SCHEMBL9848684	0.91	PSMB5 (0.52)	BACE1BACE2CTSDCASP3CASP7
SCHEMBL9848675	0.91	BACE1 (0.51)	BACE1BACE2CTSDCASP3CASP7
SCHEMBL9848681	0.90	BACE1 (0.53)	BACE1BACE2CTSDCASP3CASP7
SCHEMBL9848651	0.89	BACE1 (0.50)	BACE1BACE2CTSD
SCHEMBL9848658	0.87	BACE1 (0.53)	BACE1BACE2CTSD
SCHEMBL9848690	0.87	OPRD1 (0.62)	BACE1BACE2CTSD
SCHEMBL9848664	0.86	OPRD1 (0.61)	BACE1BACE2CTSD
SCHEMBL31393355	0.84	BACE1 (0.63)	BACE1BACE2CTSDCASP3CASP7
SCHEMBL9848623	0.82	OPRD1 (0.47)	BACE1BACE2CTSD

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-0438873-A1	Inhibitor of ribonucleotide reductase of herpes viruses	MERCK & CO. INC. (US)	1991-07-31	—	—	EP	disclosed