SCHEMBL29971465

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

nearest known ligand 0.56

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	BACE1	P56817	9/20	0.52

▸	BACE2	Q9Y5Z0	3/20	0.52

▸	TFPI	P10646	1/20	0.51

▸	KISS1R	Q969F8	5/20	0.50

▸	CTSD	P07339	1/20	0.50

▸	OPRK1	P41145	1/20	0.50

▸	NTSR2	O95665	1/20	0.49

▸	NTSR1	P30989	1/20	0.49

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
SCHEMBL28891603	0.93	BACE1 (0.56)	NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL28891604	0.93	BACE1 (0.56)	NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL28182078	0.89	BACE1 (0.56)	BACE1BACE2CTSD
SCHEMBL28182080	0.89	BACE1 (0.56)	BACE1BACE2CTSD
SCHEMBL32665677	0.88	TFPI (0.53)	NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL30292594	0.88	CTSB (0.53)	BACE1BACE2TFPICTSD
SCHEMBL30924748	0.88	TFPI (0.52)	NPY1RNPY2RNPY4RBACE1TFPI
SCHEMBL32664689	0.88	NPY4R (0.68)	NPY1RNPY2RNPY4RTFPIKISS1R
SCHEMBL31243875	0.88	OPRM1 (0.53)	NPY1RNPY2RNPY4RKISS1ROPRK1
SCHEMBL30471450	0.87	NPY4R (0.69)	NPY1RNPY2RNPY4RBACE1BACE2

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-114835620-A	Application of alpha-diazoate and carboxylic acid ester-forming reaction in connection of polypeptide and modification of protein	南开大学	2022-08-02	—	—	CN	disclosed