SCHEMBL30362820

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	5/20	0.58

▸	NTSR2	O95665	4/20	0.58

▸	SORT1	Q99523	3/20	0.58

▸	NPY2R	P49146	7/20	0.57

▸	NPY4R	P50391	7/20	0.57

▸	NPY5R	Q15761	7/20	0.57

▸	NPY1R	P25929	5/20	0.57

▸	F2	P00734	1/20	0.54

▸	SLC6A2	P23975	1/20	0.54

▸	CALCR	P30988	2/20	0.53

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
SCHEMBL30362990	0.98	NPY2R (0.56)	NTSR1NTSR2SORT1NPY2RNPY4R
SCHEMBL29758902	0.94	NPY2R (0.54)	NTSR1NTSR2SORT1NPY2RNPY4R
SCHEMBL30435305	0.92	NTSR1 (0.61)	NTSR1NTSR2SORT1NPY2RNPY4R
SCHEMBL29465928	0.90	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL31086923	0.90	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL29796754	0.90	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL29362259	0.90	NPY2R (0.47)	NTSR1NTSR2SORT1NPY2RNPY4R
SCHEMBL29805251	0.89	NPY2R (0.47)	NTSR1NTSR2SORT1NPY2RNPY4R
SCHEMBL29796613	0.89	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2
SCHEMBL29517484	0.89	NTSR1 (0.60)	NTSR1NTSR2SORT1SLC6A2

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-116159024-A	Beta-hairpin peptidomimetics having elastase inhibitory activity and aerosol dosage forms thereof	思帕克塞斯股份公司	2023-05-26	—	—	CN	claimed
CN-116159024-A	Beta-hairpin peptidomimetics having elastase inhibitory activity and aerosol dosage forms thereof	思帕克塞斯股份公司	2023-05-26	—	—	CN	disclosed