SCHEMBL30699889

SCHEMBL30699889

O=C(N1CC(NCc2cc(Cl)ccc2C(F)(F)F)C1)N1CC[C@H](n2cnnn2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.41
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ ENPP2 Q13822 2/20 0.36
▸ ALK Q9UM73 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ C5AR1 P21730 2/20 0.35
▸ DDR1 Q08345 2/20 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
SCHEMBL30700502 0.85 TEAD1 (0.39) FAAHP2RX7
SCHEMBL30700175 0.83 KCNH2 (0.41) ENPP2P2RX7
SCHEMBL30699915 0.82 TEAD1 (0.41) FAAHENPP2
SCHEMBL30700088 0.82 MGLL (0.41) —
SCHEMBL30699918 0.82 MGLL (0.41) —
SCHEMBL30700033 0.78 TACR1 (0.38) ENPP2P2RX7
SCHEMBL25325576 0.71 FAAH (0.36) FAAHNOS3NOS1NOS2P2RX7
SCHEMBL30553285 0.71 FAAH (0.36) FAAHNOS3NOS1NOS2P2RX7
SCHEMBL30699948 0.70 MGLL (0.43) —
SCHEMBL30700677 0.69 MGLL (0.40) P2RX7

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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