SCHEMBL30700373

SCHEMBL30700373

O=C(N1CC[C@H](c2ncn[nH]2)C1)N1CC2(CC(Cc3ccc(C(F)(F)F)cn3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.43
▸ PAK1 Q13153 2/20 0.37
▸ PIM1 P11309 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ LIPE Q05469 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ LCAT P04180 1/20 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
SCHEMBL25325375 0.91 MGLL (0.44) MGLLPAK1PIM1EPHX2HCRTR1
SCHEMBL30700516 0.90 MGLL (0.44) MGLLPAK1PIM1PSEN1PSEN2
SCHEMBL30700080 0.88 MGLL (0.40) MGLLEPHX2
SCHEMBL30700357 0.87 MGLL (0.41) MGLLPIM1HCRTR1
SCHEMBL30700187 0.87 MGLL (0.43) MGLLLCAT
SCHEMBL30700398 0.87 MGLL (0.41) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL30700274 0.86 MGLL (0.41) MGLLPAK1PIM1
SCHEMBL30700423 0.86 MGLL (0.44) MGLLPAK1PIM1
SCHEMBL30700358 0.86 MGLL (0.41) MGLLPAK1PIM1LCAT
SCHEMBL30700036 0.86 CYP3A4 (0.38) MGLLPAK1

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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