SCHEMBL9521039

SCHEMBL9521039

O=c1s[c]c(C(F)(F)F)n1CC1CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.34
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CNR2 P34972 5/20 0.32
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 3/20 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
SCHEMBL9519978 0.66 NOTUM (0.36) CNR2ALDH1A1CNR1
SCHEMBL10391799 0.66 CNR2 (0.33) CNR2PDE5APDE4APDE4BPDE4C
SCHEMBL10391800 0.66 CNR2 (0.38) GRM2CNR2PDE5APDE4APDE4B
SCHEMBL9519739 0.64 CNR2 (0.32) RORARORCRORBCNR2CNR1
SCHEMBL1628564 0.53 SMN1; SMN2 (0.78) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL12035535 0.53 CHRM5 (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL19117334 0.52 CCR1 (0.37) GRM2CNR2ALDH1A1
SCHEMBL23571170 0.51 SMN1; SMN2 (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL19566355 0.51 CYP3A4 (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL23674849 0.51 GRM2 (0.33) GRM2

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-0300898-B1 PYRETHRINOID DERIVATIVES CONTAINING AN N-HETEROCYCLE, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS PESTICIDES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-03-10 EP disclosed
EP-0300898-A1 Pyrethrinoid derivatives containing an N-heterocycle, processes and intermediates for their preparation, their use as pesticides and compositions containing them ROUSSEL-UCLAF (FR) 1989-01-25 EP disclosed