SCHEMBL17166408

CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC(=O)[C@H](CC(C)C)NC

nearest known ligand 0.52

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	6/20	0.52

▸	NPY5R	Q15761	5/20	0.52

▸	NPY1R	P25929	4/20	0.52

▸	NPY2R	P49146	2/20	0.52

▸	NPBWR1	P48145	7/20	0.52

▸	GRIA1	P42261	1/20	0.49

▸	CD40	P25942	1/20	0.48

▸	OPRK1	P41145	1/20	0.47

▸	CHRND	Q07001	3/20	0.47

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
SCHEMBL14479343	0.93	NPBWR1 (0.52)	NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL17166418	0.93	NPY4R (0.56)	NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL17166409	0.93	NPY4R (0.56)	NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479330	0.93	NPY4R (0.59)	NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479420	0.93	NPY4R (0.59)	NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479448	0.91	NPBWR1 (0.54)	NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479400	0.90	NPBWR1 (0.54)	NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL17166399	0.89	GRIA1 (0.55)	GRIA1CD40CHRND
SCHEMBL14479364	0.89	GRIA1 (0.54)	NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479394	0.88	GRIA1 (0.55)	NPY4RNPY5RNPY1RNPY2RGRIA1

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-9155795-B2	CXCR4 receptor compounds	ANCHOR THERAPEUTICS, INC. (US)	2015-10-13	—	—	US	disclosed