SCHEMBL13264285

SCHEMBL13264285

Cc1ccc2c(c1)nc(CC(C)(C)C)n2CC1(O)CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.65
CNR1 P21554 3/20 0.61
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL13980913 0.90 CNR2 (0.52) CNR2CNR1MEN1KMT2AGAA
SCHEMBL1335917 0.88 CNR2 (0.64) CNR2CNR1
SCHEMBL3999423 0.82 CNR2 (0.72) CNR2CNR1
SCHEMBL1333751 0.78 CNR2 (0.79) CNR2CNR1
SCHEMBL3999393 0.77 CNR2 (0.52) CNR2CNR1MEN1KMT2AGAA
SCHEMBL1333842 0.76 CNR2 (0.76) CNR2CNR1
SCHEMBL1336160 0.75 CNR2 (0.85) CNR2CNR1
SCHEMBL1336136 0.73 CNR2 (0.72) CNR2CNR1
SCHEMBL4764521 0.73 CNR2 (0.64) CNR2CNR1
SCHEMBL4000223 0.73 CNR2 (0.64) CNR2CNR1

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-2010084767-A1 N-SUBSTITUTED SATURATED HETEROCYCLIC SULFONE COMPOUNDS WITH CB2 RECEPTOR AGONISTIC ACTIVITY RAQUALIA PHARMA INC. (JP) 2010-07-29 WO disclosed