SCHEMBL30700356

SCHEMBL30700356

NC(=O)[C@H]1CCN(C(=O)N2CC3(CC(Cc4ncc(C(F)(F)F)cc4F)C3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ MGLL Q99685 7/20 0.37
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ KCNQ4 P56696 1/20 0.35
▸ KCNQ5 Q9NR82 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ EIF2AK4 Q9P2K8 2/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ATM Q13315 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
SCHEMBL30700104 0.86 KDM4E (0.42) LMNAKDM4EABL1MGLLGAA
SCHEMBL30700358 0.81 MGLL (0.41) MGLLKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL31549784 0.81 MGLL (0.39) LMNAKDM4EMGLLKCNQ3KCNQ2
SCHEMBL30775773 0.81 MGLL (0.57) MGLL
SCHEMBL30700107 0.81 ADRA2C (0.34) MGLLPDK2
SCHEMBL30700434 0.81 MGLL (0.40) LMNAKDM4EABL1MGLLGAA
SCHEMBL30700504 0.80 MGLL (0.40) LMNAKDM4EABL1MGLLGAA
SCHEMBL25324389 0.79 MGLL (0.43) MGLLKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL30700534 0.78 MGLL (0.39) LMNAKDM4EABL1MGLLGAA
SCHEMBL30699945 0.78 MGLL (0.45) LMNAKDM4EABL1MGLLGAA

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
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
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