SCHEMBL3711034

SCHEMBL3711034

CC(O)(N1CCCCC1)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.39
ALDH1A1 P00352 1/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7156855 0.81 CYP2B6 (0.39) CYP2B6ALDH1A1
SCHEMBL5151403 0.81 CYP2B6 (0.39) CYP2B6ALDH1A1
SCHEMBL2272088 0.78
SCHEMBL3873640 0.78
SCHEMBL30413234 0.77 CYP2B6 (0.37) CYP2B6
SCHEMBL1800588 0.77 CYP2B6 (0.37) CYP2B6ALDH1A1
SCHEMBL1276798 0.77 CYP2B6 (0.37) CYP2B6
SCHEMBL24928198 0.73 CYP2B6 (0.42) CYP2B6
SCHEMBL23988087 0.73 CYP2B6 (0.42) CYP2B6
SCHEMBL24928097 0.73 CYP2B6 (0.42) CYP2B6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2211618-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS Glaxo Group Limited (GB) 2010-08-04 EP disclosed
WO-2009049113-A1 PIPERIDINYLHYDROXYETHYLPIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-16 WO disclosed