SCHEMBL30700397

SCHEMBL30700397

O=C(N1CC(c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)C1)N1CC[C@H](n2cnnc2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36
HSD11B1 P28845 1/20 0.35
F2R P25116 3/20 0.34
CNR1 P21554 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ACACB O00763 2/20 0.33
SCN9A Q15858 5/20 0.33
MGLL Q99685 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MAPK14 Q16539 2/20 0.33
PROKR1 Q8TCW9 2/20 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
SCHEMBL30700461 0.88 BTK (0.40) BTKRAF1MAP2K1HSD11B1F2R
SCHEMBL30700101 0.88 BTK (0.40) BTKRAF1MAP2K1HSD11B1F2R
SCHEMBL25259043 0.80 ACACB (0.39) BTKRAF1MAP2K1HSD11B1F2R
SCHEMBL23091899 0.78 MGLL (0.59) MGLL
SCHEMBL23148295 0.78 MGLL (0.59) MGLL
SCHEMBL23119856 0.78 MGLL (0.59) MGLL
SCHEMBL30700459 0.76 SCN9A (0.42) F2RCNR1TMEM97SCN9A
SCHEMBL29497058 0.76 RORC (0.40) BTKACACB
SCHEMBL25297852 0.76 RORC (0.40) BTKACACB
SCHEMBL30700118 0.75 BRD4 (0.36) RAF1MAP2K1HSD11B1F2RCNR1

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