SCHEMBL30700279

SCHEMBL30700279

O=C(N1CC[C@H](n2cnnn2)C1)N1CC2(C1)CN(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.36
▸ CACNA1B Q00975 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ NOTUM Q6P988 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
SCHEMBL30700189 0.85 EPHX2 (0.42) CACNA1BMEN1KMT2A
SCHEMBL30700308 0.85 EPHX2 (0.42) CACNA1BMEN1KMT2A
SCHEMBL27246386 0.75 MGLL (0.55) CACNA1BMEN1KMT2ANR3C1
SCHEMBL30700641 0.75 TEAD1 (0.38) SMN1; SMN2
SCHEMBL30700811 0.74 KCNH2 (0.33) —
SCHEMBL30700677 0.74 MGLL (0.40) —
SCHEMBL25326395 0.74 CACNA1B (0.35) CACNA1BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30700903 0.72 MGLL (0.40) ALDH1A1
SCHEMBL30700054 0.72 MGLL (0.40) —
SCHEMBL30700426 0.71 KMT2A (0.45) ALDH1A1MEN1KMT2A

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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