SCHEMBL30700502

SCHEMBL30700502

O=C(N1CC(NCc2ccc(C(F)(F)F)cc2Cl)C1)N1CC[C@H](n2cnnn2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 3/20 0.39
▸ FAAH O00519 1/20 0.37
▸ MCHR1 Q99705 5/20 0.37
▸ P2RX7 Q99572 2/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ CCR2 P41597 3/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL30700088 0.91 MGLL (0.41) TEAD1MCHR1IDO1MGLLSCN9A
SCHEMBL30699918 0.91 MGLL (0.41) TEAD1MCHR1IDO1MGLLSCN9A
SCHEMBL30699889 0.85 FAAH (0.41) FAAHP2RX7
SCHEMBL30699915 0.84 TEAD1 (0.41) TEAD1FAAHMCHR1IDO1CYP2D6
SCHEMBL30700033 0.80 TACR1 (0.38) MCHR1P2RX7
SCHEMBL30699948 0.79 MGLL (0.43) TEAD1MCHR1MGLLSCN9A
SCHEMBL30700175 0.79 KCNH2 (0.41) TEAD1P2RX7KCNH2
SCHEMBL30700165 0.78 MCHR1 (0.41) FAAHMCHR1MGLLKCNH2
SCHEMBL30700669 0.76 MGLL (0.41) MCHR1IDO1MGLLKCNH2
SCHEMBL30700903 0.75 MGLL (0.40) FAAHIDO1MGLL

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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