SCHEMBL14344621

Cc1cc(C[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@H](C=O)C(C)O)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	16/20	0.39

▸	BACE2	Q9Y5Z0	6/20	0.39

▸	CTSD	P07339	3/20	0.38

▸	NPY4R	P50391	4/20	0.37

▸	NPY1R	P25929	3/20	0.37

▸	NPY2R	P49146	3/20	0.37

▸	CTSE	P14091	2/20	0.36

▸	NPY5R	Q15761	2/20	0.36

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
SCHEMBL13634029	0.80	BACE1 (0.50)	BACE1BACE2CTSD
SCHEMBL13781456	0.75	BACE1 (0.44)	BACE1BACE2CTSDNPY4RNPY1R
SCHEMBL13781455	0.74	TFPI (0.53)	BACE1BACE2
SCHEMBL31031460	0.69	NPY4R (0.54)	BACE1BACE2CTSDNPY4RNPY1R
SCHEMBL30586759	0.68	BACE1 (0.60)	BACE1BACE2CTSDNPY4RNPY1R
SCHEMBL30445846	0.68	BACE1 (0.60)	BACE1BACE2CTSDNPY4RNPY1R
SCHEMBL29425313	0.68	NTSR2 (0.62)	BACE1BACE2CTSDNPY4RNPY1R
SCHEMBL30350026	0.67	KISS1R (0.56)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL13634028	0.67	TFPI (0.53)	BACE1BACE2
SCHEMBL29443821	0.67	BACE1 (0.65)	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
WO-2007138291-A2	NOVEL IMAGING AGENTS	GE HEALTHCARE LIMITED (GB)	2007-12-06	—	—	WO	disclosed