SCHEMBL4437632

SCHEMBL4437632

N#C/N=C1\NCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.35
AR P10275 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN9A Q15858 1/20 0.33
CFTR P13569 1/20 0.33
SLC6A4 P31645 3/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR2C P28335 2/20 0.32
HTR1A P08908 1/20 0.31

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
SCHEMBL3593167 1.00 CETP (0.35) CETPARHTTLMNAMAPT
SCHEMBL3582973 1.00 CETP (0.35) CETPARHTTLMNAMAPT
SCHEMBL3593170 1.00 CETP (0.35) CETPARHTTLMNAMAPT
SCHEMBL3582970 1.00 CETP (0.35) CETPARHTTLMNAMAPT
SCHEMBL3582975 1.00 CETP (0.35) CETPARHTTLMNAMAPT
SCHEMBL13185918 0.91 SCN9A (0.35) ARLMNAMEN1CYP2C9KMT2A
SCHEMBL3592408 0.88 CETP (0.39) CETPHTTLMNAMAPTMEN1
SCHEMBL3592410 0.88 CETP (0.39) CETPHTTLMNAMAPTMEN1
SCHEMBL13168241 0.85 CETP (0.35) CETPHTTLMNAMAPTMEN1
SCHEMBL13168005 0.85 CETP (0.35) CETPHTTLMNAMAPTMEN1

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-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed