SCHEMBL2170712

SCHEMBL2170712

CN1CCC(COc2ccc(C(F)(F)F)cc2C(N)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.51
SLC6A9 P48067 1/20 0.48
SCN8A Q9UQD0 2/20 0.48
SCN10A Q9Y5Y9 2/20 0.48
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
SCN9A Q15858 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
MGLL Q99685 1/20 0.42
PTGER1 P34995 1/20 0.42
RBP4 P02753 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL1974225 0.82 CNR2 (0.59) CNR2IRAK4
SCHEMBL3627815 0.82 CNR2 (0.59) CNR2IRAK4
SCHEMBL1974220 0.82 CNR2 (0.59) CNR2IRAK4
SCHEMBL3713690 0.81 CNR2 (0.54) CNR2LPLLIPGSCN9ACHRM2
SCHEMBL2170919 0.81 CNR2 (0.56) CNR2IRAK4
SCHEMBL2170926 0.81 CNR2 (0.56) CNR2IRAK4
SCHEMBL3627026 0.79 CNR2 (0.53) CNR2SCN8ASCN10AIRAK4
SCHEMBL2170111 0.78 IRAK4 (0.53) SCN8ASCN10ASCN9AIRAK4PARP15
SCHEMBL2170200 0.78 CNR2 (0.55) CNR2SLC6A9
SCHEMBL2170206 0.78 CNR2 (0.55) CNR2SLC6A9

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-2346843-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-07-27 EP disclosed
WO-2010028338-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-11 WO disclosed