SCHEMBL29805251

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](CCCC(N)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.47

▸	NPY4R	P50391	7/20	0.47

▸	NPY5R	Q15761	7/20	0.47

▸	NPY1R	P25929	5/20	0.47

▸	GLP1R	P43220	1/20	0.47

▸	GCGR	P47871	1/20	0.47

▸	GIPR	P48546	1/20	0.47

▸	CRHR1	P34998	1/20	0.46

▸	CRHR2	Q13324	1/20	0.46

▸	RAMP3	O60896	5/20	0.45

▸	CALCR	P30988	5/20	0.45

▸	NTSR2	O95665	2/20	0.45

▸	NTSR1	P30989	2/20	0.45

▸	SORT1	Q99523	2/20	0.45

▸	F2	P00734	1/20	0.44

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
SCHEMBL29362259	0.99	NPY2R (0.47)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30362990	0.92	NPY2R (0.56)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29823022	0.91	NTSR1 (0.51)	NTSR2NTSR1SORT1
SCHEMBL30362820	0.89	NTSR1 (0.58)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29758902	0.89	NPY2R (0.54)	NPY2RNPY4RNPY5RNPY1RCRHR1
SCHEMBL30844335	0.87	NPY2R (0.49)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29706174	0.86	CAPN1 (0.49)	RAMP3CALCRNTSR2NTSR1SORT1
SCHEMBL13697491	0.86	NPY2R (0.46)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29897780	0.86	NPY2R (0.46)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29780544	0.86	NPY2R (0.46)	NPY2RNPY4RNPY5RNPY1RRAMP3

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-3087094-B1	BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS	POLYPHOR AG (CH)	2022-06-01	—	—	EP	claimed