SCHEMBL30700127

SCHEMBL30700127

O=C(N1CC(OCc2ccc(C(F)(F)F)nc2)C1)N1CCC(c2nnc[nH]2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.42
▸ PIK3CD O00329 3/20 0.39
▸ ENPP2 Q13822 3/20 0.39
▸ PIK3R1 P27986 2/20 0.39
▸ FAAH O00519 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PREP P48147 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP3A5 P20815 1/20 0.34
▸ SCN9A Q15858 2/20 0.34

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
SCHEMBL30700110 0.95 ENPP2 (0.39) MGLLPIK3CDENPP2PIK3R1JAK2
SCHEMBL30700368 0.89 MGLL (0.40) MGLLPIK3CDPIK3R1FAAH
SCHEMBL30700259 0.88 ENPP2 (0.39) PIK3CDENPP2PIK3R1JAK2JAK1
SCHEMBL30700018 0.86 ENPP2 (0.39) MGLLPIK3CDENPP2PIK3R1JAK2
SCHEMBL30700437 0.86 MGLL (0.40) MGLLPIK3CDPIK3R1FAAHJAK2
SCHEMBL30700053 0.83 MGLL (0.40) MGLLPIK3CDFAAH
SCHEMBL30700475 0.81 MGLL (0.38) MGLLPIK3CDENPP2PIK3R1JAK2
SCHEMBL30700282 0.80 ENPP2 (0.38) MGLLPIK3CDENPP2PIK3R1JAK2
SCHEMBL30700145 0.80 CHRNA7 (0.43) MGLLCHRNA7LIPESCN9A
SCHEMBL30700492 0.79 MGLL (0.44) MGLLPIK3CDENPP2PIK3R1FAAH

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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