SCHEMBL4787160

SCHEMBL4787160

Cn1c(=O)n(-c2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
HSD11B1 P28845 3/20 0.44
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43
TNKS O95271 1/20 0.43
CNR1 P21554 6/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
KCNH2 Q12809 1/20 0.43
CNR2 P34972 5/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL14020279 0.86 MAPT (0.43) MAPTGRM5GRM1CNR1KDM4E
SCHEMBL4788342 0.86 CRHR1 (0.46) MAPTGRM5GRM1CNR1KDM4E
SCHEMBL14020262 0.84 MAPT (0.41) MAPTGRM5GRM1CNR1KDM4E
SCHEMBL4787973 0.83 CNR1 (0.47) MAPTCNR1KDM4EMAPK1CNR2
SCHEMBL4751343 0.82 TDP2 (0.41) MAPTGRM5GRM1CNR1KDM4E
SCHEMBL4788229 0.82 MAPT (0.39) MAPTGRM5GRM1CNR1KDM4E
SCHEMBL4789197 0.81 CNR1 (0.43) MAPTCNR1KDM4EMAPK1CNR2
SCHEMBL4786903 0.81 CNR1 (0.43) CNR1CNR2KMT2A
SCHEMBL1689384 0.80 GRM1 (0.47) MAPTGRM5GRM1CNR1KDM4E
SCHEMBL1753184 0.78 KDM4E (0.43) HSD11B1CNR1KDM4EMAPK1KCNH2

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