SCHEMBL7555807

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	ENPEP	Q07075	5/20	0.42

▸	BACE1	P56817	3/20	0.41

▸	MAGI3	Q5TCQ9	1/20	0.41

▸	F2	P00734	4/20	0.40

▸	GLP1R	P43220	4/20	0.40

▸	CASP1	P29466	1/20	0.38

▸	CASP3	P42574	1/20	0.38

▸	CASP4	P49662	1/20	0.38

▸	CASP5	P51878	1/20	0.38

▸	CASP9	P55211	1/20	0.38

▸	CASP6	P55212	1/20	0.38

▸	CASP8	Q14790	1/20	0.38

▸	CASP10	Q92851	1/20	0.38

▸	CTSD	P07339	1/20	0.38

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
SCHEMBL30259072	0.93	BACE1 (0.41)	BACE1CASP1CASP3CASP9CTSD
SCHEMBL30193475	0.91	BACE1 (0.41)	BACE1GLP1RCTSD
SCHEMBL30353795	0.90	BACE1 (0.47)	BACE1F2GLP1R
SCHEMBL31420016	0.86	ENPEP (0.47)	ENPEPBACE1
SCHEMBL30913885	0.86	BACE1 (0.40)	BACE1CASP3CTSD
SCHEMBL30913884	0.86	BACE1 (0.40)	BACE1CASP3CTSD
SCHEMBL30554853	0.86	BACE1 (0.46)	BACE1MAGI3F2GLP1RCASP1
SCHEMBL29625183	0.85	ENPEP (0.39)	ENPEPCTSD
SCHEMBL29871022	0.85	NOD1 (0.40)	—
SCHEMBL30554861	0.85	MAGI3 (0.44)	BACE1MAGI3F2GLP1RCASP1

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-2002062835-A1	NUCLEIC ACIDS AND POLYPEPTIDES FOR CONTROLLING FOOD INTAKE AND/OR BODY WEIGHT	APPETITE CONTROL AB (SE)	2002-08-15	—	—	WO	disclosed