SCHEMBL1689306

SCHEMBL1689306

CC(=O)c1ccc(-c2nc3nn(-c4ccccc4)cc3c(=O)n2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
EGFR P00533 2/20 0.42
PDE10A Q9Y233 1/20 0.42
HTT P42858 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
KMT2A Q03164 2/20 0.42
KDR P35968 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
DRD2 P14416 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
SCHEMBL1689138 0.89 ALDH1A1 (0.53) MAPTALDH1A1CNR1CNR2GPR55
SCHEMBL1689243 0.89 MAPT (0.51) MAPTALDH1A1CNR1CNR2GPR55
SCHEMBL1689094 0.89 ALDH1A1 (0.52) MAPTALDH1A1CNR1CNR2GPR55
SCHEMBL5611687 0.87 MAPT (0.52) MAPTL3MBTL1ALDH1A1CNR1CNR2
SCHEMBL1689427 0.87 MAPT (0.44) MAPTALDH1A1CNR1CNR2GPR55
SCHEMBL1689182 0.86 MAPT (0.43) MAPTALDH1A1CNR1CNR2GPR55
SCHEMBL1688969 0.86 MAPT (0.49) MAPTALDH1A1CNR1CNR2GPR55
SCHEMBL5611503 0.86 MAPT (0.45) POLBMAPTALDH1A1CNR1CNR2
SCHEMBL5612533 0.85 MAPT (0.45) POLBMAPTALDH1A1CNR1CNR2
SCHEMBL1689009 0.84 ALDH1A1 (0.47) MAPTALDH1A1CNR1CNR2GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO disclosed