SCHEMBL9848680

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

nearest known ligand 0.62

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	3/20	0.55

▸	BACE1	P56817	12/20	0.54

▸	BACE2	Q9Y5Z0	5/20	0.54

▸	CTSD	P07339	1/20	0.50

▸	FOLH1	Q04609	1/20	0.47

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
SCHEMBL9848689	0.92	OPRD1 (0.53)	OPRD1BACE1BACE2CTSD
SCHEMBL9848690	0.90	OPRD1 (0.62)	OPRD1BACE1BACE2CTSD
SCHEMBL8837262	0.90	BACE1 (0.61)	OPRD1BACE1BACE2CTSDFOLH1
SCHEMBL8837270	0.90	BACE1 (0.61)	OPRD1BACE1BACE2CTSDFOLH1
SCHEMBL9848664	0.89	OPRD1 (0.61)	OPRD1BACE1BACE2CTSD
SCHEMBL9848647	0.88	OPRD1 (0.56)	OPRD1BACE1BACE2CTSD
SCHEMBL8332105	0.88	FOLH1 (0.58)	OPRD1BACE1BACE2FOLH1
SCHEMBL8332107	0.88	FOLH1 (0.58)	OPRD1BACE1BACE2FOLH1
SCHEMBL31720928	0.88	FOLH1 (0.60)	OPRD1BACE1BACE2FOLH1
SCHEMBL32681297	0.88	FOLH1 (0.60)	OPRD1BACE1BACE2FOLH1

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