SCHEMBL29758902

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)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)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.54

▸	NPY4R	P50391	7/20	0.54

▸	NPY5R	Q15761	7/20	0.54

▸	NPY1R	P25929	5/20	0.54

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	NTSR1	P30989	3/20	0.53

▸	NTSR2	O95665	2/20	0.53

▸	SORT1	Q99523	2/20	0.53

▸	CALCR	P30988	5/20	0.52

▸	RAMP3	O60896	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
SCHEMBL30362990	0.96	NPY2R (0.56)	NPY2RNPY4RNPY5RNPY1RCRHR1
SCHEMBL30362820	0.94	NTSR1 (0.58)	NPY2RNPY4RNPY5RNPY1RNTSR1
SCHEMBL29362259	0.89	NPY2R (0.47)	NPY2RNPY4RNPY5RNPY1RCRHR1
SCHEMBL29805251	0.89	NPY2R (0.47)	NPY2RNPY4RNPY5RNPY1RCRHR1
SCHEMBL30435305	0.88	NTSR1 (0.61)	NPY2RNPY4RNPY5RNPY1RNTSR1
SCHEMBL29796754	0.86	NTSR1 (0.60)	NTSR1NTSR2SORT1
SCHEMBL31086923	0.86	NTSR1 (0.60)	NTSR1NTSR2SORT1
SCHEMBL29465928	0.86	NTSR1 (0.60)	NTSR1NTSR2SORT1
SCHEMBL30567788	0.86	EP300 (0.58)	NPY2RNPY4RNPY5RNPY1RNTSR1
SCHEMBL29796613	0.85	NTSR1 (0.60)	NTSR1NTSR2SORT1

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
EP-3463280-B1	BETA-HAIRPIN PEPTIDOMIMETIC WITH ELASTASE INHIBITORY ACTIVITY AND AEROSOL DOSAGE FORMS THEREOF	POLYPHOR AG (CH)	2022-07-06	—	—	EP	claimed