SCHEMBL1688924

SCHEMBL1688924

O=c1c2cn(-c3ccccc3)nc2nc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ADORA3 P0DMS8 4/20 0.41
CNR1 P21554 2/20 0.40
GPR55 Q9Y2T6 2/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
HTT P42858 1/20 0.38
GPR35 Q9HC97 1/20 0.38
PTGS2 P35354 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38

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 0.92 MAPT (0.51) MAPTKMT2AMEN1HSP90AA1ADORA3
SCHEMBL5612533 0.90 MAPT (0.45) MAPTKMT2AMEN1HSP90AA1CNR1
SCHEMBL5611687 0.89 MAPT (0.52) MAPTKMT2AMEN1HSP90AA1ADORA3
SCHEMBL1689122 0.89 MAPT (0.48) MAPTKMT2AMEN1HSP90AA1ADORA3
SCHEMBL1689094 0.89 ALDH1A1 (0.52) MAPTKMT2AMEN1HSP90AA1CNR1
SCHEMBL1689138 0.87 ALDH1A1 (0.53) MAPTKMT2AMEN1HSP90AA1CNR1
SCHEMBL1689182 0.86 MAPT (0.43) MAPTKMT2AMEN1HSP90AA1ADORA3
SCHEMBL1688969 0.86 MAPT (0.49) MAPTKMT2AMEN1HSP90AA1CNR1
SCHEMBL1688903 0.85 MAPT (0.46) MAPTKMT2AMEN1HSP90AA1CNR1
SCHEMBL5611729 0.85 MAPT (0.41) MAPTKMT2AMEN1HSP90AA1CNR1

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 2 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