SCHEMBL27290308

SCHEMBL27290308

O=C(N1CC(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)C1)N1CCC(c2ncn[nH]2)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.43
▸ FAAH O00519 1/20 0.40
▸ PIM1 P11309 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ LPL P06858 2/20 0.34
▸ LIPC P11150 2/20 0.34
▸ LIPG Q9Y5X9 2/20 0.34
▸ BTK Q06187 1/20 0.34
▸ TTR P02766 1/20 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
SCHEMBL30700152 1.00 MGLL (0.43) MGLLFAAHPIM1TRPV1SLC6A4
SCHEMBL30700147 0.92 MGLL (0.46) MGLLFAAHPIM1LPLLIPC
SCHEMBL27289695 0.92 MGLL (0.46) MGLLFAAHPIM1LPLLIPC
SCHEMBL30700174 0.92 MGLL (0.46) MGLLFAAHPIM1LPLLIPC
SCHEMBL27289691 0.92 MGLL (0.46) MGLLFAAHPIM1LPLLIPC
SCHEMBL30700176 0.92 MGLL (0.46) MGLLFAAHPIM1LPLLIPC
SCHEMBL30700009 0.92 MGLL (0.46) MGLLFAAHPIM1LPLLIPC
SCHEMBL27290848 0.91 MGLL (0.47) MGLLFAAHPIM1
SCHEMBL30700335 0.86 MGLL (0.44) MGLLFAAHPIM1LPLLIPC
SCHEMBL30700164 0.82 MGLL (0.64) MGLLFAAHTRPV1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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