SCHEMBL30700322

SCHEMBL30700322

O=C(N1CC(NCc2ccc(C(F)(F)F)cc2F)C1)N1CCC(c2nnc[nH]2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.44
▸ TEAD1 P28347 3/20 0.38
▸ F2R P25116 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ MCHR1 Q99705 6/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ PDE2A O00408 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
SCHEMBL30700204 0.90 MGLL (0.39) MGLLTEAD1F2RJAK2JAK1
SCHEMBL30700223 0.90 MGLL (0.39) MGLLTEAD1F2RJAK2JAK1
SCHEMBL30700278 0.85 MGLL (0.46) MGLLTEAD1F2RJAK2JAK1
SCHEMBL30700764 0.85 MGLL (0.46) MGLLTEAD1F2RJAK2JAK1
SCHEMBL30700301 0.85 MGLL (0.44) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700444 0.83 MGLL (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700786 0.83 MGLL (0.44) MGLLTEAD1F2RJAK2JAK1
SCHEMBL31308016 0.82 ENPP2 (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL31307999 0.82 ENPP2 (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700569 0.82 FAAH (0.41) MGLLJAK2JAK1TYK2JAK3

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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