SCHEMBL16566024

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

nearest known ligand 0.64

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	3/20	0.62

▸	CALCR	P30988	3/20	0.62

▸	KEAP1	Q14145	1/20	0.60

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	TFPI	P10646	5/20	0.58

▸	KDM1A	O60341	1/20	0.56

▸	MAOB	P27338	1/20	0.56

▸	KDM5A	P29375	1/20	0.56

▸	KDM1B	Q8NB78	1/20	0.56

▸	EP300	Q09472	1/20	0.56

▸	HIF1A	Q16665	1/20	0.56

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
SCHEMBL34468327	0.91	NPY2R (0.62)	RAMP3CALCRKEAP1NPY2RNPY4R
SCHEMBL31474428	0.88	RAMP3 (0.67)	RAMP3CALCRKEAP1NPY2RNPY4R
SCHEMBL30495648	0.88	RAMP3 (0.67)	RAMP3CALCRKEAP1NPY2RNPY4R
SCHEMBL30895016	0.87	RAMP3 (0.64)	RAMP3CALCRKEAP1NPY2RNPY4R
SCHEMBL30495739	0.87	IL23R (0.64)	RAMP3CALCRKEAP1NPY2RNPY4R
SCHEMBL30423064	0.86	KEAP1 (0.69)	RAMP3CALCRKEAP1NPY2RNPY4R
SCHEMBL30433003	0.86	NPY2R (0.64)	RAMP3CALCRKEAP1NPY2RNPY4R
SCHEMBL31182566	0.86	TFPI (0.68)	CALCRKEAP1NPY2RNPY4RNPY5R
SCHEMBL30495778	0.86	NPY2R (0.69)	KEAP1NPY2RNPY4RNPY5RNPY1R
SCHEMBL31130610	0.86	RAMP3 (0.64)	RAMP3CALCRKEAP1NPY2RNPY4R

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
WO-2015034920-A2	GRANULOCYTE MACROPHAGE COLONY-STIMULATING FACTOR COMPOSITIONS	SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US)	2015-03-12	—	—	WO	disclosed