SCHEMBL4787973

SCHEMBL4787973

CN(C)C(=O)n1c(=O)n(-c2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.47
CNR2 P34972 13/20 0.47
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4787160 0.83 MAPT (0.45) CNR1CNR2MAPTKDM4EMAPK1
SCHEMBL14020279 0.82 MAPT (0.43) CNR1CNR2MAPTKDM4EMAPK1
SCHEMBL4788342 0.81 CRHR1 (0.46) CNR1CNR2MAPTKDM4EMAPK1
SCHEMBL4789197 0.79 CNR1 (0.43) CNR1CNR2MAPTKDM4EMAPK1
SCHEMBL4786903 0.79 CNR1 (0.43) CNR1CNR2
SCHEMBL14020262 0.79 MAPT (0.41) CNR1CNR2MAPTKDM4EMAPK1
SCHEMBL4751343 0.76 TDP2 (0.41) CNR1CNR2MAPTKDM4EMAPK1
SCHEMBL4788229 0.76 MAPT (0.39) CNR1CNR2MAPTKDM4EMAPK1
SCHEMBL1689384 0.74 GRM1 (0.47) CNR1CNR2MAPTKDM4EMAPK1
SCHEMBL1753008 0.73 MAPT (0.69) MAPTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO claimed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed