SCHEMBL30700358

SCHEMBL30700358

O=C(N1CC[C@H](c2ncn[nH]2)C1)N1CC2(CC(Cc3ncc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.41
▸ PAK1 Q13153 2/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ LCAT P04180 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ KCNQ3 O43525 1/20 0.31
▸ KCNQ2 O43526 1/20 0.31
▸ KCNQ4 P56696 1/20 0.31
▸ KCNQ5 Q9NR82 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
SCHEMBL30699890 0.93 MGLL (0.41) MGLLPIM1KCNH2GRIN2BKCNQ3
SCHEMBL30553237 0.92 MGLL (0.42) MGLLPAK1PIM1KCNH2GRIN2B
SCHEMBL25325537 0.92 MGLL (0.42) MGLLPAK1PIM1KCNH2GRIN2B
SCHEMBL30700516 0.88 MGLL (0.44) MGLLPAK1PIM1LCAT
SCHEMBL30700423 0.87 MGLL (0.44) MGLLPAK1PIM1
SCHEMBL30700098 0.86 MGLL (0.42) MGLLPAK1PIM1KCNH2
SCHEMBL30700373 0.86 MGLL (0.43) MGLLPAK1PIM1LCAT
SCHEMBL30700859 0.85 MGLL (0.40) MGLLPAK1PIM1
SCHEMBL30700357 0.84 MGLL (0.41) MGLLPIM1
SCHEMBL30700348 0.82 MGLL (0.44) MGLL

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 5 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
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO claimed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN 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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