SCHEMBL1689151

SCHEMBL1689151

O=c1c2cn(-c3ccccc3)nc2nc(-c2ccc(-c3cnoc3)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
CNR1 P21554 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
PTGS2 P35354 3/20 0.36
HTT P42858 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL1689243 0.89 MAPT (0.51) MAPTKMT2AMEN1HSP90AA1GRM5
SCHEMBL5611687 0.87 MAPT (0.52) MAPTKMT2AMEN1HSP90AA1GRM5
SCHEMBL1689094 0.86 ALDH1A1 (0.52) MAPTKMT2AMEN1HSP90AA1GRM5
SCHEMBL1689060 0.85 ALDH1A1 (0.53) MAPTKMT2AMEN1HSP90AA1GRM5
SCHEMBL5612533 0.85 MAPT (0.45) MAPTKMT2AMEN1HSP90AA1GRM5
SCHEMBL1689138 0.85 ALDH1A1 (0.53) MAPTKMT2AMEN1HSP90AA1GRM5
SCHEMBL1688969 0.84 MAPT (0.49) MAPTKMT2AMEN1HSP90AA1GRM5
SCHEMBL1689182 0.84 MAPT (0.43) MAPTKMT2AMEN1HSP90AA1GRM5
SCHEMBL5611664 0.83 MAPT (0.49) MAPTKMT2AMEN1HSP90AA1GRM1
SCHEMBL1688924 0.83 MAPT (0.43) MAPTKMT2AMEN1HSP90AA1GRM5

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