SCHEMBL30700333

SCHEMBL30700333

O=C(N1CCC2(CC1)CN(Cc1ccc(C(F)(F)F)cc1F)C2)N1CC[C@@H](c2nnc[nH]2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.41
▸ ENPP2 Q13822 3/20 0.41
▸ ATXN2 Q99700 3/20 0.41
▸ MGLL Q99685 2/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ USP2 O75604 5/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GPR183 P32249 1/20 0.37
▸ PDE2A O00408 1/20 0.37

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
SCHEMBL30700569 1.00 FAAH (0.41) FAAHENPP2ATXN2MGLLJAK2
SCHEMBL30700197 1.00 FAAH (0.41) FAAHENPP2ATXN2MGLLJAK2
SCHEMBL31308016 0.94 ENPP2 (0.41) FAAHENPP2ATXN2MGLLJAK2
SCHEMBL30700573 0.94 ENPP2 (0.41) FAAHENPP2ATXN2MGLLJAK2
SCHEMBL31307999 0.94 ENPP2 (0.41) FAAHENPP2ATXN2MGLLJAK2
SCHEMBL30700444 0.94 MGLL (0.41) FAAHENPP2ATXN2MGLLJAK2
SCHEMBL30700244 0.84 L3MBTL1 (0.40) FAAHMGLLJAK2JAK1TYK2
SCHEMBL30700223 0.83 MGLL (0.39) ENPP2ATXN2MGLLJAK2JAK1
SCHEMBL30700204 0.83 MGLL (0.39) ENPP2ATXN2MGLLJAK2JAK1
SCHEMBL30700322 0.82 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 4 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
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