SCHEMBL30700290

SCHEMBL30700290

O=C(N1CC(CCc2ccc(C(F)(F)F)cc2F)C1)N1CCC(c2ncn[nH]2)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.62
▸ PIM1 P11309 1/20 0.40
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ BTK Q06187 1/20 0.35

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
SCHEMBL30700147 0.85 MGLL (0.46) MGLLPIM1PDE2A
SCHEMBL27289695 0.85 MGLL (0.46) MGLLPIM1PDE2A
SCHEMBL27289691 0.85 MGLL (0.46) MGLLPIM1PDE2A
SCHEMBL30700764 0.85 MGLL (0.46) MGLLPIM1PDE2ABTK
SCHEMBL30700176 0.85 MGLL (0.46) MGLLPIM1PDE2A
SCHEMBL30700009 0.85 MGLL (0.46) MGLLPIM1PDE2A
SCHEMBL30700174 0.85 MGLL (0.46) MGLLPIM1PDE2A
SCHEMBL30700278 0.85 MGLL (0.46) MGLLPIM1PDE2ABTK
SCHEMBL27292611 0.85 MGLL (0.63) MGLLHTR2AHTR2CHCRTR1HCRTR2
SCHEMBL30700335 0.84 MGLL (0.44) MGLLPIM1

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
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