SCHEMBL30700223

SCHEMBL30700223

O=C(N1CCC(c2nnc[nH]2)C1)N1CC2(CC(NCc3ccc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 0.36
▸ TEAD1 P28347 3/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ MCHR1 Q99705 2/20 0.32
▸ F2R P25116 2/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PDCD1LG2 Q9BQ51 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PDE2A O00408 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
SCHEMBL30700204 1.00 MGLL (0.39) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700322 0.90 MGLL (0.44) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700444 0.87 MGLL (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30699868 0.87 MGLL (0.34) MGLLCYP11B1CYP11B2F2R
SCHEMBL30700573 0.86 ENPP2 (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL31308016 0.86 ENPP2 (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL31307999 0.86 ENPP2 (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700197 0.83 FAAH (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700569 0.83 FAAH (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700333 0.83 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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