SCHEMBL29385779

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](CCC(=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 0.61

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	5/20	0.61

▸	NPY1R	P25929	4/20	0.61

▸	NPY2R	P49146	3/20	0.61

▸	BACE1	P56817	8/20	0.56

▸	BACE2	Q9Y5Z0	4/20	0.56

▸	NPY5R	Q15761	2/20	0.55

▸	KISS1R	Q969F8	4/20	0.53

▸	OPRK1	P41145	1/20	0.53

▸	CTSD	P07339	1/20	0.52

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
SCHEMBL29386232	0.97	BACE1 (0.59)	NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL29382927	0.93	NPY4R (0.60)	NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL29679856	0.92	NPY1R (0.58)	NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL32664291	0.91	NPY4R (0.65)	NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL29822749	0.91	NPY4R (0.69)	NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31353030	0.90	NPY4R (0.57)	NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL3649802	0.88	NPY4R (0.67)	NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL3649800	0.88	NPY4R (0.67)	NPY4RNPY1RNPY2RNPY5ROPRK1
SCHEMBL30733256	0.88	OPRK1 (0.58)	NPY4RNPY1RNPY2RBACE1BACE2
SCHEMBL30124150	0.88	NPY4R (0.58)	NPY4RNPY1RNPY2RBACE1BACE2

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