SCHEMBL9848671

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

nearest known ligand 0.61

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	4/20	0.59

▸	BACE1	P56817	11/20	0.50

▸	BACE2	Q9Y5Z0	3/20	0.48

▸	CTSD	P07339	1/20	0.47

▸	KISS1R	Q969F8	1/20	0.46

▸	NPY1R	P25929	1/20	0.46

▸	NPY2R	P49146	1/20	0.46

▸	NPY4R	P50391	1/20	0.46

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
SCHEMBL9848682	0.90	OPRD1 (0.61)	OPRD1BACE1BACE2CTSD
SCHEMBL9848690	0.87	OPRD1 (0.62)	OPRD1BACE1BACE2CTSD
SCHEMBL30570969	0.87	OPRD1 (0.56)	OPRD1BACE1BACE2CTSDNPY1R
SCHEMBL29611639	0.87	OPRD1 (0.57)	OPRD1BACE1BACE2CTSDNPY1R
SCHEMBL9848664	0.86	OPRD1 (0.61)	OPRD1BACE1BACE2CTSD
SCHEMBL31243887	0.86	OPRD1 (0.53)	OPRD1BACE1BACE2CTSDKISS1R
SCHEMBL9848704	0.86	OPRD1 (0.60)	OPRD1BACE1BACE2CTSD
SCHEMBL9848656	0.85	OPRD1 (0.62)	OPRD1BACE1BACE2CTSD
SCHEMBL9848670	0.85	OPRD1 (0.61)	OPRD1BACE1BACE2CTSDKISS1R
SCHEMBL30578956	0.84	OPRD1 (0.55)	OPRD1BACE1BACE2CTSDNPY1R

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