SCHEMBL13007482

SCHEMBL13007482

O=Cn1c(=O)n(CC2(O)CCOCC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.50
CNR1 P21554 3/20 0.50
HTR4 Q13639 7/20 0.38
APEX1 P27695 1/20 0.33
AGTR1 P30556 1/20 0.33
CYP3A4 P08684 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
SCHEMBL13007407 0.74 CNR2 (0.50) CNR2CNR1
SCHEMBL739903 0.72 MEN1 (0.50) CNR2CNR1
SCHEMBL738526 0.68 CNR2 (1.00) CNR2CNR1HTR4
SCHEMBL20768925 0.64 CNR2 (0.37) CNR2CNR1HTR4APEX1
SCHEMBL20769119 0.64 CNR2 (0.39) CNR2CNR1HTR4APEX1
SCHEMBL739683 0.62 HTR7 (0.49) CNR2
SCHEMBL24200345 0.62 CYP1A2 (0.50)
SCHEMBL14261089 0.61 GAA (0.37) CNR2APEX1
SCHEMBL8406860 0.58 OPRL1 (0.51)
SCHEMBL8293251 0.58 POLB (0.40) CNR2CNR1HTR4

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
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 EP disclosed