SCHEMBL30700225

SCHEMBL30700225

O=C(N1CC[C@@H](n2ccnn2)C1)N1CC2(CC(Cc3ccc(F)cc3F)C2)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.35
▸ HTR2A P28223 3/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ GPR6 P46095 5/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ CCR4 P51679 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
SCHEMBL30700519 1.00 MGLL (0.35) MGLLHTR2AHTR2CEPHX1EPHX2
SCHEMBL30700283 0.88 MGLL (0.37) MGLLHTR2AHTR2CGPR6CCR3
SCHEMBL30699859 0.85 HTR2A (0.37) MGLLHTR2AHTR2CGPR6CCR3
SCHEMBL30700903 0.78 MGLL (0.40) MGLL
SCHEMBL30700677 0.78 MGLL (0.40) MGLLEPHX2
SCHEMBL30700096 0.77 MGLL (0.39) MGLLHTR2AHTR2CCCR4
SCHEMBL30700361 0.77 MGLL (0.38) MGLLHTR2AHTR2CCCR4
SCHEMBL30700887 0.75 MGLL (0.40) MGLLHTR2AHTR2CCCR4
SCHEMBL27139040 0.74 MGLL (0.36) MGLLHTR2AHTR2CGPR6
SCHEMBL27154914 0.73 MGLL (0.64) MGLLHTR2AHTR2CGPR6CCR4

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 5 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
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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