SCHEMBL4788342

SCHEMBL4788342

CCn1c(=O)n(-c2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.46
CNR1 P21554 5/20 0.45
CNR2 P34972 4/20 0.45
MAPT P10636 2/20 0.43
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK8 P45983 2/20 0.41
MAPK9 P45984 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 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
SCHEMBL14020262 0.90 MAPT (0.41) CNR1CNR2MAPTGRM5GRM1
SCHEMBL4788229 0.87 MAPT (0.39) CNR1CNR2MAPTGRM5GRM1
SCHEMBL4751343 0.87 TDP2 (0.41) CNR1CNR2MAPTGRM5GRM1
SCHEMBL4787160 0.86 MAPT (0.45) CNR1CNR2MAPTGRM5GRM1
SCHEMBL4789197 0.86 CNR1 (0.43) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL4786903 0.86 CNR1 (0.43) CNR1CNR2
SCHEMBL14020279 0.84 MAPT (0.43) CNR1CNR2MAPTGRM5GRM1
SCHEMBL4786029 0.82 MAPT (0.52) CRHR1MAPTGRM5GRM1KDM4E
SCHEMBL14021050 0.81 MAPT (0.45) CRHR1MAPTGRM5GRM1KDM4E
SCHEMBL4787973 0.81 CNR1 (0.47) CNR1CNR2MAPTKDM4EMAPK1

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