SCHEMBL2879218

SCHEMBL2879218

CC1(C)COC(C[S])(c2ccccc2)OC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM5 P08912 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 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
SCHEMBL2879220 0.81 TSHR (0.36) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL28604807 0.81 CHRNB2 (0.36) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL11232065 0.79 ICMT (0.35) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL10976001 0.76 GRIN1 (0.37) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL11247257 0.76 GRIN1 (0.35) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL11231723 0.75 GRIN1 (0.37) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL873359 0.74 CHRNB2 (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL10975428 0.73 TSHR (0.34) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL10852241 0.73 SLC6A2 (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL919634 0.72 ALDH1A1 (0.38) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699759-B1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-10-20 EP disclosed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed