SCHEMBL29396808

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)[Se]N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	5/20	0.60

▸	CALCR	P30988	5/20	0.60

▸	NPY2R	P49146	8/20	0.59

▸	NPY4R	P50391	8/20	0.59

▸	NPY5R	Q15761	8/20	0.59

▸	NPY1R	P25929	6/20	0.59

▸	EPHA2	P29317	2/20	0.57

▸	KDM1A	O60341	2/20	0.55

▸	NMUR2	Q9GZQ4	1/20	0.54

▸	NMUR1	Q9HB89	1/20	0.54

▸	EP300	Q09472	1/20	0.53

▸	HIF1A	Q16665	1/20	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
SCHEMBL29396082	0.96	RAMP3 (0.64)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30429249	0.89	NPY2R (0.65)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30262164	0.88	EPHA2 (0.62)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30640886	0.87	RAMP3 (0.63)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30415437	0.86	MAPK8 (0.59)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30176462	0.85	NPY2R (0.68)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30495834	0.84	RAMP3 (0.68)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31027702	0.84	EPHA2 (0.65)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31681688	0.84	EPHA2 (0.58)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31182494	0.84	NPY2R (0.69)	RAMP3CALCRNPY2RNPY4RNPY5R

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
US-20220049283-A1	Method of detecting SARS-CoV-2 cleavage targeted proprotein convertase and facilitated protease activity	LI WEIWEI LI (US)	2022-02-17	—	—	US	disclosed