SCHEMBL17448300

CC(=O)OCC1O[C@@H](OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]2OC(COC(C)=O)[C@H](O)[C@H](O)C2N)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]2OC(COC(C)=O)[C@H](O)C(O)[C@@H]2N)NC(=O)OCc2ccccc2)[C@@H](N)C(O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	TACR1	P25103	3/20	0.38

▸	MCHR1	Q99705	2/20	0.35

▸	SSTR2	P30874	2/20	0.34

▸	SSTR3	P32745	2/20	0.34

▸	SSTR5	P35346	2/20	0.34

▸	CAPN1	P07384	1/20	0.34

▸	CAPN2	P17655	1/20	0.34

▸	SIRT2	Q8IXJ6	2/20	0.33

▸	TPSAB1	Q15661	2/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	HTT	P42858	1/20	0.33

▸	DOT1L	Q8TEK3	1/20	0.32

▸	BCHE	P06276	1/20	0.32

▸	ACHE	P22303	1/20	0.32

▸	KLK7	P49862	1/20	0.32

▸	KLK5	Q9Y337	1/20	0.32

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
SCHEMBL17448328	1.00	TACR1 (0.38)	TACR1MCHR1SSTR2SSTR3SSTR5
SCHEMBL16693722	1.00	TACR1 (0.38)	TACR1MCHR1SSTR2SSTR3SSTR5
SCHEMBL17640891	1.00	TACR1 (0.38)	TACR1MCHR1SSTR2SSTR3SSTR5
SCHEMBL17122691	0.97	TACR1 (0.36)	TACR1MCHR1SSTR2SSTR3SSTR5
SCHEMBL18973082	0.90	TACR1 (0.34)	TACR1CAPN1CAPN2SIRT2TPSAB1
SCHEMBL16693711	0.90	TACR1 (0.32)	TACR1
SCHEMBL17236023	0.88	TACR1 (0.31)	TACR1
SCHEMBL16250407	0.86	HPSE (0.34)	—
SCHEMBL16905461	0.85	HPSE (0.34)	—
SCHEMBL9604519	0.85	TACR1 (0.35)	TACR1CAPN1CAPN2SIRT2TPSAB1

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-20160017323-A1	CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE	ISIS PHARMACEUTICALS, INC. (US)	2016-01-21	—	—	US	disclosed