SCHEMBL5699005

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	14/20	0.49

▸	BACE2	Q9Y5Z0	5/20	0.48

▸	NPY1R	P25929	1/20	0.45

▸	NPY2R	P49146	1/20	0.45

▸	NPY4R	P50391	1/20	0.45

▸	ACE	P12821	1/20	0.45

▸	MME	P08473	1/20	0.45

▸	CTSD	P07339	1/20	0.44

▸	IL1RN	P18510	1/20	0.44

▸	ERAP2	Q6P179	1/20	0.44

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
SCHEMBL5699001	1.00	BACE1 (0.49)	BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL31415938	0.88	BACE1 (0.51)	BACE1NPY1RNPY2RNPY4RACE
SCHEMBL31274737	0.87	MME (0.50)	ACEMME
SCHEMBL30505408	0.87	BACE1 (0.54)	BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL30533136	0.86	BACE1 (0.58)	BACE1BACE2CTSD
SCHEMBL3100946	0.85	OPRM1 (0.47)	BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL3100933	0.85	OPRM1 (0.47)	BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL29531471	0.84	ACE (0.47)	NPY1RNPY2RNPY4RACEMME
SCHEMBL30034864	0.84	NPY1R (0.53)	NPY1RNPY2RNPY4RACEIL1RN
SCHEMBL29705780	0.84	OPRD1 (0.54)	NPY1RNPY2RNPY4RACEIL1RN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1673101-A1	LIM2 INHIBITORS OF LMO2	Medical Research Council (GB)	2006-06-28	—	—	EP	disclosed
WO-2005039613-A1	LIM2 INHIBITOR OF LM02	MEDICAL RESEARCH COUNCIL (GB)	2005-05-06	—	—	WO	disclosed