SCHEMBL30700461

SCHEMBL30700461

O=C(N1CC(c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)C1)N1CC[C@@H](n2cnnn2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
RAF1 P04049 1/20 0.35
MAP2K1 Q02750 1/20 0.35
HSD11B1 P28845 1/20 0.33
CNR1 P21554 1/20 0.32
F2R P25116 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
ACACB O00763 2/20 0.32
SCN9A Q15858 4/20 0.32
MGLL Q99685 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MAPK14 Q16539 1/20 0.31
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 2/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
IDO1 P14902 1/20 0.31
BRD4 O60885 1/20 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
SCHEMBL30700101 1.00 BTK (0.40) BTKRAF1MAP2K1HSD11B1CNR1
SCHEMBL30700397 0.88 BTK (0.42) BTKRAF1MAP2K1HSD11B1CNR1
SCHEMBL30700118 0.87 BRD4 (0.36) RAF1MAP2K1HSD11B1CNR1F2R
SCHEMBL30700521 0.87 BRD4 (0.36) RAF1MAP2K1HSD11B1CNR1F2R
SCHEMBL30700439 0.84 SCN9A (0.38) SCN9AFPR1FPR2HCRTR1IDO1
SCHEMBL30700128 0.81 PARP10 (0.44) BTKMGLL
SCHEMBL27291568 0.81 PARP10 (0.44) BTKMGLL
SCHEMBL30700532 0.81 PARP10 (0.44) BTKMGLL
SCHEMBL30699964 0.78 SCN9A (0.40) CNR1F2RTMEM97SCN9A
SCHEMBL27291672 0.78 SCN9A (0.40) CNR1F2RTMEM97SCN9A

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