SCHEMBL30700444

SCHEMBL30700444

O=C(N1CCC(c2nnc[nH]2)C1)N1CC2(CN(Cc3ccc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PDE2A O00408 1/20 0.38
▸ ENPP2 Q13822 3/20 0.37
▸ ATXN2 Q99700 3/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ FAAH O00519 2/20 0.36
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ USP2 O75604 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL30700333 0.94 FAAH (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL31308016 0.94 ENPP2 (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL31307999 0.94 ENPP2 (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700197 0.94 FAAH (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700573 0.94 ENPP2 (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700569 0.94 FAAH (0.41) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700204 0.87 MGLL (0.39) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700223 0.87 MGLL (0.39) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700457 0.87 GPR183 (0.46) MGLLFAAHCYP3A4MAPT
SCHEMBL30700322 0.83 MGLL (0.44) 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 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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