SCHEMBL30700449

SCHEMBL30700449

O=C(N1CC(C#Cc2ccccc2C(F)F)C1)N1CC[C@@H](c2cnn[nH]2)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 6/20 0.31
▸ KRAS P01116 1/20 0.30
▸ SOS1 Q07889 1/20 0.30
▸ USP30 Q70CQ3 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
SCHEMBL30700501 0.77 GRM5 (0.39) HSD11B1
SCHEMBL21730877 0.74 MGLL (0.52) —
SCHEMBL32664208 0.74 MGLL (0.52) —
SCHEMBL25252026 0.72 HDAC8 (0.31) —
SCHEMBL30700478 0.70 HSD11B1 (0.38) HSD11B1USP30
SCHEMBL30700024 0.69 CA12 (0.39) HSD11B1USP30
SCHEMBL27291239 0.69 MGLL (0.41) —
SCHEMBL30700456 0.69 APLNR (0.39) HSD11B1USP30
SCHEMBL30700701 0.68 RAB9A (0.35) HSD11B1USP30
SCHEMBL30700264 0.68 MGLL (0.43) HSD11B1

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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