SCHEMBL6878752

CCCCCCCCC1COC2(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)(C)N(OC(C)c3ccccc3)C(CC)(CC)C2)O1

nearest known ligand 0.35

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	TMEM97	Q5BJF2	1/20	0.35

▸	SIGMAR1	Q99720	1/20	0.35

▸	HTR1A	P08908	4/20	0.34

▸	ADRA1B	P35368	3/20	0.34

▸	ADRA1D	P25100	3/20	0.34

▸	ADRA1A	P35348	2/20	0.33

▸	BRD4	O60885	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	ABL1	P00519	1/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	RAB9A	P51151	1/20	0.33

▸	RIN1	Q13671	1/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	GRM2	Q14416	3/20	0.31

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
SCHEMBL4985091	0.91	GRM2 (0.32)	GRM2
SCHEMBL4987014	0.91	GRM2 (0.32)	GRM2
SCHEMBL4983546	0.91	GRM2 (0.32)	GRM2
SCHEMBL4985189	0.87	GRM2 (0.30)	GRM2
SCHEMBL13715809	0.84	GRM2 (0.35)	ALDH1A1GRM2
SCHEMBL13715854	0.84	GRM2 (0.35)	ALDH1A1GRM2
SCHEMBL14379708	0.84	GRM2 (0.35)	ALDH1A1GRM2
SCHEMBL13715814	0.84	GRM2 (0.35)	ALDH1A1GRM2
SCHEMBL4982686	0.84	MEN1 (0.30)	LMNA
SCHEMBL13715740	0.80	GRM2 (0.33)	TMEM97SIGMAR1HTR1AADRA1BADRA1D

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-20040082742-A1	N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith	CIBA SPECIALTY CHEMICALS CORP.	2004-04-29	—	—	US	claimed