SCHEMBL9848643

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

nearest known ligand 0.42

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	11/20	0.42

▸	BACE2	Q9Y5Z0	4/20	0.42

▸	CASP3	P42574	2/20	0.41

▸	CASP7	P55210	1/20	0.41

▸	CASP1	P29466	2/20	0.39

▸	CASP9	P55211	1/20	0.39

▸	OPRD1	P41143	1/20	0.39

▸	CTSD	P07339	1/20	0.38

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
SCHEMBL9848677	0.91	OPRD1 (0.45)	BACE1BACE2CASP3CASP7CASP1
SCHEMBL9848626	0.89	MME (0.39)	BACE1BACE2CTSD
SCHEMBL9848661	0.87	FNTA (0.42)	BACE1BACE2CASP3CASP7CASP1
SCHEMBL9848675	0.82	BACE1 (0.51)	BACE1BACE2CASP3CASP7CASP1
SCHEMBL9848660	0.82	OPRD1 (0.45)	BACE1BACE2CASP3CASP7CASP1
SCHEMBL9848637	0.81	OPRD1 (0.36)	BACE1BACE2OPRD1
SCHEMBL9848662	0.81	MME (0.39)	BACE1BACE2CASP3CTSD
SCHEMBL9848704	0.74	OPRD1 (0.60)	BACE1BACE2CASP3CASP7CASP1
SCHEMBL9848616	0.73	BACE1 (0.57)	BACE1BACE2CASP3CASP7CTSD
SCHEMBL31062503	0.73	OPRD1 (0.61)	BACE1BACE2CASP3CASP7OPRD1

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