SCHEMBL29386232

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.59

▸	BACE2	Q9Y5Z0	4/20	0.59

▸	NPY4R	P50391	4/20	0.57

▸	NPY1R	P25929	3/20	0.57

▸	NPY2R	P49146	3/20	0.57

▸	CTSD	P07339	1/20	0.55

▸	KISS1R	Q969F8	4/20	0.52

▸	NPY5R	Q15761	2/20	0.51

▸	OPRK1	P41145	1/20	0.51

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
SCHEMBL29385779	0.97	NPY4R (0.61)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL29382927	0.96	NPY4R (0.60)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL29679856	0.94	NPY1R (0.58)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL29760947	0.91	NPY4R (0.68)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL31031534	0.89	NPY1R (0.54)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL29608100	0.89	NPY4R (0.67)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30633119	0.89	BACE1 (0.61)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30512646	0.89	NPY4R (0.55)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL31169687	0.89	NPY1R (0.51)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL29644436	0.88	NPY4R (0.62)	BACE1BACE2NPY4RNPY1RNPY2R

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
CN-111701580-B	Middle molecular toxin adsorbent for removing beta 2 microglobulin in blood	华中科技大学	2022-02-15	—	—	CN	claimed
CN-111701580-B	Middle molecular toxin adsorbent for removing beta 2 microglobulin in blood	华中科技大学	2022-02-15	—	—	CN	disclosed