SCHEMBL11244534

SCHEMBL11244534

COc1ccc(C2(CCCBr)OC(C)C(C)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
GSK3B P49841 1/20 0.36
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TLR9 Q9NR96 1/20 0.31
SOAT1 P35610 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
SCHEMBL10676662 0.84 MAOB (0.42) MAOBMAOAGSK3BCHRNA1CHRNG
SCHEMBL9518055 0.84 MAOB (0.42) MAOBMAOAGSK3BCHRNA1CHRNG
SCHEMBL11238036 0.84 MAOB (0.34) MAOBMAOAGSK3BCHRNA1CHRNG
SCHEMBL11234671 0.83 L3MBTL1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL11230749 0.83 MAOA (0.33) MAOBMAOASIRT2GSK3BCHRNA1
SCHEMBL11237185 0.82 MAOB (0.37) MAOBMAOASIRT2GSK3BCHRNA1
SCHEMBL11236878 0.81 SOAT1 (0.37) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL11250705 0.80 MAOB (0.39) MAOBMAOASIRT2GSK3BCHRNA1
SCHEMBL11247712 0.78 MAOB (0.37) MAOBMAOASIRT2GSK3BCHRNA1
SCHEMBL11248824 0.77 GRIN1 (0.43) MAOBMAOASIRT2GSK3BCHRNA1

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-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed