SCHEMBL30700033

SCHEMBL30700033

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ ENPP2 Q13822 6/20 0.38
▸ EPHX2 P34913 5/20 0.37
▸ ATXN2 Q99700 6/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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 0.87 MGLL (0.41) MCHR1F2R
SCHEMBL30700088 0.87 MGLL (0.41) MCHR1F2R
SCHEMBL30700502 0.80 TEAD1 (0.39) P2RX7MCHR1
SCHEMBL30700175 0.79 KCNH2 (0.41) P2RX7ENPP2EPHX2
SCHEMBL30699889 0.78 FAAH (0.41) P2RX7ENPP2
SCHEMBL30700699 0.77 P2RX7 (0.38) TACR1P2RX7ENPP2EPHX2ATXN2
SCHEMBL30699948 0.76 MGLL (0.43) MCHR1F2R
SCHEMBL30699915 0.73 TEAD1 (0.41) ENPP2MCHR1F2R
SCHEMBL30700165 0.72 MCHR1 (0.41) MCHR1
SCHEMBL25324356 0.72 ENPP2 (0.42) TACR1P2RX7ENPP2ATXN2

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
Send feedback