SCHEMBL30700088

SCHEMBL30700088

O=C(N1CC(NCc2ccc(C(F)(F)F)cc2F)C1)N1CC[C@H](n2cnnn2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.41
▸ TEAD1 P28347 3/20 0.39
▸ MCHR1 Q99705 6/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ PKM P14618 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ F2R P25116 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
SCHEMBL30699918 1.00 MGLL (0.41) MGLLTEAD1MCHR1IDO1ALDH1A1
SCHEMBL30700502 0.91 TEAD1 (0.39) MGLLTEAD1MCHR1IDO1SCN9A
SCHEMBL30699948 0.88 MGLL (0.43) MGLLTEAD1MCHR1ALDH1A1LMNA
SCHEMBL30700033 0.87 TACR1 (0.38) MCHR1F2R
SCHEMBL30700165 0.84 MCHR1 (0.41) MGLLMCHR1
SCHEMBL30700175 0.82 KCNH2 (0.41) TEAD1
SCHEMBL30700669 0.82 MGLL (0.41) MGLLMCHR1IDO1ALDH1A1LMNA
SCHEMBL30699889 0.82 FAAH (0.41) —
SCHEMBL30700903 0.81 MGLL (0.40) MGLLIDO1ALDH1A1LMNAPKM
SCHEMBL30699915 0.81 TEAD1 (0.41) TEAD1MCHR1IDO1LMNAPOLB

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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