SCHEMBL30700052

SCHEMBL30700052

NC(=O)[C@H]1CCN(C(=O)N2CC3(CCC(Oc4ncc(C(F)(F)F)cn4)CC3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SCN9A Q15858 1/20 0.36
▸ HSD11B1 P28845 4/20 0.35
▸ LIPE Q05469 7/20 0.34
▸ ABHD6 Q9BV23 1/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ HCRTR1 O43613 3/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL30700450 0.83 GPR119 (0.38) KDM4EABL1LMNASCN9AHSD11B1
SCHEMBL30699891 0.80 GAA (0.43) KDM4EABL1LMNAGAATDP1
SCHEMBL30700102 0.80 GAA (0.43) KDM4EABL1LMNAGAATDP1
SCHEMBL30700321 0.80 MALT1 (0.36) KDM4EABL1LMNAGAATDP1
SCHEMBL30700149 0.79 LOXL2 (0.36) KDM4EABL1LMNAGAATDP1
SCHEMBL30700517 0.79 KDM4E (0.47) KDM4EABL1LMNAGAATDP1
SCHEMBL30700376 0.78 ABHD6 (0.39) KDM4EABL1LMNAGAATDP1
SCHEMBL30700104 0.78 KDM4E (0.42) KDM4EABL1LMNAGAATDP1
SCHEMBL26739545 0.77 MGLL (0.39) SCN9ALIPEABHD6HCRTR1CYP2D6
SCHEMBL26631156 0.77 MGLL (0.39) SCN9ALIPEABHD6HCRTR1CYP2D6

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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