SCHEMBL5315779

SCHEMBL5315779

O=C(O)N1CCC[C@H]1COc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.58
CHRNA5 P30532 1/20 0.58
CHRNA7 P36544 1/20 0.58
CHRNA4 P43681 1/20 0.58
SPHK2 Q9NRA0 1/20 0.55
KCNH2 Q12809 2/20 0.53
MCHR1 Q99705 2/20 0.53
HRH3 Q9Y5N1 4/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.50
NPY1R P25929 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL5132712 1.00 CHRNB2 (0.58) CHRNB2CHRNA5CHRNA7CHRNA4SPHK2
SCHEMBL3827589 0.91 SPHK2 (0.66) CHRNB2CHRNA5CHRNA7CHRNA4SPHK2
SCHEMBL4140738 0.89 ABHD6 (0.54) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL15811746 0.89 ABHD6 (0.54) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL5413716 0.88 FFAR1 (0.55) CHRNB2CHRNA5CHRNA7CHRNA4HRH3
SCHEMBL5318408 0.86 CHRNB4 (0.53) CHRNB2CHRNA5CHRNA7CHRNA4SPHK2
SCHEMBL5144697 0.85 CHRNB2 (0.49) CHRNB2CHRNA5CHRNA7CHRNA4SPHK2
SCHEMBL17008464 0.85 ABHD6 (0.58) NPC1RAB9A
SCHEMBL4314170 0.85 PRMT5 (0.56) CHRNB2CHRNA5CHRNA7CHRNA4SPHK2
SCHEMBL4314700 0.85 PRMT5 (0.56) CHRNB2CHRNA5CHRNA7CHRNA4SPHK2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed