SCHEMBL27291240

SCHEMBL27291240

O=C(N1CC(c2ccc(N3CC(OCC(F)(F)F)C3)cc2)C1)N1CCC(c2nnc[nH]2)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.36
▸ F2R P25116 3/20 0.34
▸ IDH1 O75874 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ AOC3 Q16853 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ ACACB O00763 4/20 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
SCHEMBL30700399 0.85 MGLL (0.37) MGLLF2RRORCHTR2BACACB
SCHEMBL30700345 0.82 IDH1 (0.37) MGLLF2RIDH1SCN9ARORC
SCHEMBL30700769 0.82 MGLL (0.35) MGLLF2RSCN9ARORCACACB
SCHEMBL27291884 0.80 MGLL (0.37) MGLLF2RACACB
SCHEMBL27291886 0.80 MGLL (0.37) MGLLF2RACACB
SCHEMBL30700574 0.80 MGLL (0.37) MGLLF2RACACB
SCHEMBL21390052 0.78 MGLL (0.62) MGLL
SCHEMBL21382150 0.78 MGLL (0.62) MGLL
SCHEMBL30700845 0.76 TRPC6 (0.39) MGLLF2RSCN9A
SCHEMBL25303105 0.75 SCN9A (0.37) SCN9AACACB

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 4 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
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO disclosed
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