SCHEMBL30568070

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

nearest known ligand 0.47

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	10/20	0.47

▸	CTSD	P07339	2/20	0.47

▸	TFPI	P10646	1/20	0.44

▸	BACE2	Q9Y5Z0	2/20	0.44

▸	VIPR2	P41587	2/20	0.43

▸	VIPR1	P32241	2/20	0.43

▸	RXFP1	Q9HBX9	1/20	0.43

▸	NPY4R	P50391	2/20	0.42

▸	NPY1R	P25929	1/20	0.42

▸	NPY2R	P49146	1/20	0.42

▸	NPY5R	Q15761	1/20	0.42

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
SCHEMBL30804675	0.93	BACE1 (0.49)	BACE1CTSDTFPIVIPR2VIPR1
SCHEMBL30568069	0.92	NPY4R (0.44)	BACE1CTSDTFPIVIPR2VIPR1
SCHEMBL9484017	0.92	NPY4R (0.47)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL10871602	0.92	NPY4R (0.47)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL10871591	0.92	NPY4R (0.47)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL9484006	0.92	NPY4R (0.47)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL30844259	0.91	NPY4R (0.48)	BACE1CTSDNPY4RNPY1RNPY2R
SCHEMBL38660457	0.91	BACE1 (0.52)	BACE1CTSDTFPIBACE2VIPR2
SCHEMBL29406555	0.91	VIPR2 (0.49)	BACE1CTSDVIPR2VIPR1RXFP1
SCHEMBL29500481	0.91	VIPR2 (0.49)	BACE1CTSDVIPR2VIPR1RXFP1

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
CN-112143745-B	Beta-xylosidase and application thereof	集美大学	2023-09-01	—	—	CN	disclosed