SCHEMBL1689009

SCHEMBL1689009

O=c1c2cn(-c3ccccc3)nc2nc(-c2ccc(Oc3ccccc3)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
PTGS2 P35354 3/20 0.39
HTT P42858 1/20 0.39
GPR35 Q9HC97 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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 0.90 MAPT (0.51) ALDH1A1MAPTMEN1HSP90AA1KMT2A
SCHEMBL1689138 0.88 ALDH1A1 (0.53) ALDH1A1RAB9ANPSR1MAPTMEN1
SCHEMBL5611687 0.88 MAPT (0.52) ALDH1A1MAPTMEN1HSP90AA1KMT2A
SCHEMBL1689182 0.87 MAPT (0.43) ALDH1A1RAB9ANPSR1MAPTMEN1
SCHEMBL1689094 0.87 ALDH1A1 (0.52) ALDH1A1RAB9ANPSR1MAPTMEN1
SCHEMBL1688969 0.87 MAPT (0.49) ALDH1A1MAPTMEN1HSP90AA1KMT2A
SCHEMBL5612533 0.86 MAPT (0.45) ALDH1A1NPSR1MAPTMEN1HSP90AA1
SCHEMBL1689427 0.85 MAPT (0.44) ALDH1A1RAB9AMAPTMEN1HSP90AA1
SCHEMBL1688924 0.84 MAPT (0.43) ALDH1A1MAPTMEN1HSP90AA1KMT2A
SCHEMBL1689306 0.84 POLB (0.46) ALDH1A1MAPTMEN1KMT2ACNR1

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