SCHEMBL17166120

CC(C)C[C@H](NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)C(NC(=O)C(Cc1c[nH]cn1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CC(C)C)[C@@H](C)O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.58

▸	TFPI	P10646	3/20	0.54

▸	KEAP1	Q14145	1/20	0.54

▸	NPY2R	P49146	6/20	0.54

▸	NPY4R	P50391	6/20	0.54

▸	NPY5R	Q15761	6/20	0.54

▸	NPY1R	P25929	5/20	0.54

▸	MAOB	P27338	1/20	0.54

▸	KDM5A	P29375	1/20	0.54

▸	KDM1B	Q8NB78	1/20	0.54

▸	C5AR1	P21730	1/20	0.54

▸	OPRM1	P35372	4/20	0.54

▸	OPRK1	P41145	4/20	0.54

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
SCHEMBL14479426	1.00	KDM1A (0.58)	KDM1ATFPIKEAP1NPY2RNPY4R
SCHEMBL14479406	0.97	KDM1A (0.59)	KDM1ATFPIKEAP1NPY2RNPY4R
SCHEMBL14479449	0.96	KDM1A (0.56)	KDM1ATFPIKEAP1NPY2RNPY4R
SCHEMBL14479415	0.96	KDM1A (0.56)	KDM1ATFPIKEAP1NPY2RNPY4R
SCHEMBL14479419	0.96	OPRM1 (0.59)	KDM1ATFPIKEAP1OPRM1OPRK1
SCHEMBL17166412	0.89	MC4R (0.63)	KDM1ATFPIKEAP1NPY2RNPY4R
SCHEMBL30906000	0.89	C5AR1 (0.58)	KDM1AKEAP1NPY2RNPY4RNPY5R
SCHEMBL14479444	0.89	KDM1A (0.62)	KDM1ATFPINPY2RNPY4RNPY5R
SCHEMBL14479402	0.88	KDM1A (0.60)	KDM1ATFPIKEAP1NPY2RNPY4R
SCHEMBL14479365	0.88	KDM1A (0.61)	KDM1ATFPIKEAP1NPY2RNPY4R

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