SCHEMBL30700459

SCHEMBL30700459

O=C(N1CC(c2ccc(Oc3ccc(OC(F)(F)F)cc3)nc2)C1)N1CC[C@@H](n2cnnc2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.42
SCN10A Q9Y5Y9 2/20 0.42
LIPE Q05469 8/20 0.40
F2R P25116 2/20 0.39
CNR1 P21554 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.38
BCHE P06276 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
MAPK7 Q13164 1/20 0.37
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL27291672 0.88 SCN9A (0.40) SCN9ASCN10ALIPEF2RCNR1
SCHEMBL30699964 0.88 SCN9A (0.40) SCN9ASCN10ALIPEF2RCNR1
SCHEMBL30699936 0.82 SCN9A (0.41) SCN9ASCN10ALIPEF2RCNR1
SCHEMBL27291566 0.82 SCN9A (0.41) SCN9ASCN10ALIPEF2RCNR1
SCHEMBL30699973 0.82 SCN9A (0.41) SCN9ASCN10ALIPEF2RCNR1
SCHEMBL23091977 0.80 LIPE (0.45) SCN9ASCN10ALIPEF2RCYP2C9
SCHEMBL29780686 0.78 MGLL (0.62)
SCHEMBL23091908 0.78 MGLL (0.62)
SCHEMBL30700397 0.76 BTK (0.42) SCN9AF2RCNR1TMEM97
SCHEMBL23091863 0.75 LIPE (0.47) SCN9ASCN10ALIPEBCHEKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543870-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-04-30 EP claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 WO claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 WO disclosed