SCHEMBL30700278

SCHEMBL30700278

O=C(N1CC(NCc2ccc(C(F)(F)F)cc2F)C1)N1CC[C@@H](c2ncn[nH]2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.46
▸ MCHR1 Q99705 4/20 0.39
▸ TEAD1 P28347 3/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ F2R P25116 3/20 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
▸ BTK Q06187 1/20 0.36
▸ PAK1 Q13153 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35

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
SCHEMBL30700764 1.00 MGLL (0.46) MGLLMCHR1TEAD1PDE2APIM1
SCHEMBL30700699 0.88 P2RX7 (0.38) MGLLF2R
SCHEMBL30700290 0.85 MGLL (0.62) MGLLPDE2APIM1BTK
SCHEMBL30700009 0.85 MGLL (0.46) MGLLPDE2APIM1PIK3CAPRKAA2
SCHEMBL30700322 0.85 MGLL (0.44) MGLLMCHR1TEAD1PDE2AF2R
SCHEMBL30700147 0.85 MGLL (0.46) MGLLPDE2APIM1PIK3CAPRKAA2
SCHEMBL27289691 0.85 MGLL (0.46) MGLLPDE2APIM1PIK3CAPRKAA2
SCHEMBL30700176 0.85 MGLL (0.46) MGLLPDE2APIM1PIK3CAPRKAA2
SCHEMBL30700174 0.85 MGLL (0.46) MGLLPDE2APIM1PIK3CAPRKAA2
SCHEMBL27289695 0.85 MGLL (0.46) MGLLPDE2APIM1PIK3CAPRKAA2

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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