SCHEMBL30700398

SCHEMBL30700398

O=C(N1CC[C@H](c2ncn[nH]2)C1)N1CC2(CC(Cc3ccc(S(=O)(=O)C(F)(F)F)cn3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.41
▸ NAMPT P43490 1/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ BTK Q06187 1/20 0.30

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
SCHEMBL30700280 0.90 MGLL (0.37) MGLLNAMPTCYP11B1CYP11B2
SCHEMBL30700373 0.87 MGLL (0.43) MGLLPSEN1PSEN2APH1BNCSTN
SCHEMBL30700187 0.86 MGLL (0.43) MGLL
SCHEMBL30700748 0.86 MGLL (0.39) MGLLBTK
SCHEMBL30700274 0.85 MGLL (0.41) MGLLCYP11B1CYP11B2
SCHEMBL30700080 0.85 MGLL (0.40) MGLL
SCHEMBL30700427 0.83 MGLL (0.42) MGLLNAMPTCYP11B1CYP11B2
SCHEMBL30700191 0.81 CA2 (0.40) MGLL
SCHEMBL30700467 0.81 GPBAR1 (0.40) MGLLNAMPT
SCHEMBL30700348 0.80 MGLL (0.44) MGLLCYP11B1CYP11B2

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
Send feedback