SCHEMBL4600693

SCHEMBL4600693

CCCCN(CC)C(=O)c1nn(-c2cc(F)cc(C#N)c2)c(-c2ccc(OS(=O)(=O)CCCC(F)(F)F)cc2)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.33
ALPI P09923 2/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
MEN1 O00255 1/20 0.33
GPR183 P32249 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
EPAS1 Q99814 4/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
BCL2 P10415 1/20 0.30
BCL2L1 Q07817 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL4600337 0.83 CNR1 (0.35) ALPLALPICNR2CNR1MEN1
SCHEMBL4891089 0.80 CNR1 (0.37) CNR2CNR1EPAS1
SCHEMBL4599048 0.75 CNR1 (0.45) CNR2CNR1
SCHEMBL4886166 0.75 CNR1 (0.52) CNR2CNR1
SCHEMBL4886146 0.75 CNR1 (0.52) CNR2CNR1
SCHEMBL4599472 0.74 CNR1 (0.52) CNR2CNR1
SCHEMBL4600601 0.74 CNR1 (0.44) CNR2CNR1
SCHEMBL4599841 0.74 CNR1 (0.53) CNR2CNR1
SCHEMBL4796011 0.71 CNR1 (0.36) CNR2CNR1
SCHEMBL4794472 0.67 CNR1 (0.47) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910331-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS AstraZeneca AB (SE) 2008-04-16 EP claimed
WO-2007010217-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS ASTRAZENECA AB (SE) 2007-01-25 WO claimed
EP-1910331-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007010217-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS ASTRAZENECA AB (SE) 2007-01-25 WO disclosed