SCHEMBL4662687

SCHEMBL4662687

N#Cc1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.58
CNR2 P34972 5/20 0.47
ALOX5 P09917 1/20 0.46
ALOX5AP P20292 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4791922 0.90 KDM4E (0.57) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL4612148 0.86 CNR1 (0.80) CNR1CNR2
SCHEMBL3816975 0.86 CNR2 (0.58) CNR1CNR2
SCHEMBL3822724 0.86 CNR1 (0.47) CNR1CNR2ALOX5ALOX5AP
SCHEMBL3828981 0.85 CNR1 (0.68) CNR1CNR2
SCHEMBL3249853 0.85 CNR1 (0.73) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL3827684 0.81 CNR1 (0.70) CNR1CNR2
SCHEMBL14164187 0.81 CNR2 (0.59) CNR1CNR2
SCHEMBL4247698 0.79 CNR1 (0.59) CNR1CNR2
SCHEMBL4612428 0.79 CNR2 (0.49) CNR1CNR2

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-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