SCHEMBL9978183

SCHEMBL9978183

C=C(CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)c(OCC(F)(F)F)nn1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
CNR2 P34972 3/20 0.36
SLC6A3 Q01959 1/20 0.35
GCGR P47871 2/20 0.34
CHRM1 P11229 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN5A Q14524 2/20 0.33
KCNH2 Q12809 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
APP P05067 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33

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
SCHEMBL9931688 0.86 CNR1 (0.39) CNR1CNR2SLC6A3GCGRCHRM1
SCHEMBL9931687 0.86 CNR1 (0.39) CNR1CNR2SLC6A3GCGRCHRM1
SCHEMBL15512416 0.86 CNR1 (0.39) CNR1CNR2SLC6A3GCGRCHRM1
SCHEMBL9931435 0.79 KMO (0.47) CNR1SLC6A3MEN1MAPTHTT
SCHEMBL470674 0.77 CNR1 (0.43) CNR1CNR2MAPTSCN5AKCNH2
SCHEMBL9978227 0.77 SLC6A3 (0.41) CNR1SLC6A3MEN1MAPTHTT
SCHEMBL9932341 0.77 CNR1 (0.55) CNR1CNR2SCN5AKCNH2SCN2A
SCHEMBL9935929 0.77 CNR1 (0.41) CNR1CNR2SLC6A3MEN1KMT2A
SCHEMBL9978235 0.76 CNR2 (0.47) CNR1CNR2SCN5AKCNH2SCN2A
SCHEMBL9931452 0.75 CNR1 (0.53) CNR1CNR2SCN5AKCNH2SCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed