SCHEMBL15080711

CCNCCCCN[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR2	O95665	1/20	0.58

▸	NTSR1	P30989	1/20	0.58

▸	SORT1	Q99523	1/20	0.58

▸	CXCR4	P61073	7/20	0.51

▸	CAPN1	P07384	2/20	0.48

▸	CTSB	P07858	2/20	0.48

▸	KISS1R	Q969F8	3/20	0.47

▸	F13A1	P00488	2/20	0.47

▸	TGM2	P21980	2/20	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
SCHEMBL12524037	0.95	NTSR1 (0.65)	NTSR2NTSR1SORT1CXCR4CAPN1
SCHEMBL12523641	0.88	NTSR2 (0.62)	NTSR2NTSR1SORT1CXCR4CAPN1
SCHEMBL29666167	0.81	NTSR1 (0.66)	NTSR2NTSR1SORT1CXCR4CAPN1
SCHEMBL38652302	0.81	CXCR4 (0.59)	NTSR2NTSR1SORT1CXCR4CAPN1
SCHEMBL31290071	0.80	CXCR4 (0.61)	NTSR2NTSR1SORT1CXCR4CAPN1
SCHEMBL31506622	0.79	DPP3 (0.61)	NTSR2NTSR1SORT1CXCR4CAPN1
SCHEMBL30735734	0.79	CXCR4 (0.58)	NTSR2NTSR1SORT1CXCR4CAPN1
SCHEMBL29942444	0.79	KISS1R (0.56)	NTSR2NTSR1SORT1CXCR4CAPN1
SCHEMBL11593491	0.79	KISS1R (0.56)	NTSR2NTSR1SORT1CXCR4CAPN1
Hydrochloric Acid SCHEMBL11592749	0.79	KISS1R (0.55)	NTSR2NTSR1SORT1CXCR4CAPN1

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-8476221-B2	Methods and compositions for the treatment of metabolic disorders	HALIMED PHARMACEUTICALS, INC. (US)	2013-07-02	—	—	US	disclosed