SCHEMBL9848677

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)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 0.45

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	5/20	0.45

▸	BACE1	P56817	4/20	0.39

▸	BACE2	Q9Y5Z0	3/20	0.39

▸	CASP1	P29466	1/20	0.38

▸	YARS1	P54577	1/20	0.37

▸	CASP3	P42574	1/20	0.37

▸	CASP7	P55210	1/20	0.37

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
SCHEMBL9848660	0.91	OPRD1 (0.45)	OPRD1BACE1BACE2CASP1YARS1
SCHEMBL9848643	0.91	BACE1 (0.42)	OPRD1BACE1BACE2CASP1CASP3
SCHEMBL9848637	0.90	OPRD1 (0.36)	OPRD1BACE1BACE2
SCHEMBL9848661	0.90	FNTA (0.42)	OPRD1BACE1BACE2CASP1CASP3
SCHEMBL9848626	0.89	MME (0.39)	BACE1BACE2
SCHEMBL9848704	0.81	OPRD1 (0.60)	OPRD1BACE1BACE2CASP1CASP3
SCHEMBL9848662	0.79	MME (0.39)	BACE1BACE2CASP3
SCHEMBL9848680	0.79	OPRD1 (0.55)	OPRD1BACE1BACE2
SCHEMBL29408005	0.75	OPRD1 (0.68)	OPRD1BACE1BACE2CASP1
SCHEMBL30445563	0.74	OPRD1 (0.54)	OPRD1BACE1BACE2CASP1CASP3

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