SCHEMBL30700699

SCHEMBL30700699

O=C(N1CC(NCc2ccc(OC(F)(F)F)cc2F)C1)N1CC[C@H](c2ncn[nH]2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ ENPP2 Q13822 7/20 0.37
▸ ATXN2 Q99700 6/20 0.37
▸ F2R P25116 1/20 0.36
▸ TACR1 P25103 4/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.35
▸ ALOX5AP P20292 2/20 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
SCHEMBL30700278 0.88 MGLL (0.46) F2RMGLL
SCHEMBL30700764 0.88 MGLL (0.46) F2RMGLL
SCHEMBL30699959 0.85 ENPP2 (0.39) EPHX2ENPP2ATXN2MGLLALOX5AP
SCHEMBL30700033 0.77 TACR1 (0.38) P2RX7EPHX2ENPP2ATXN2F2R
SCHEMBL25324356 0.76 ENPP2 (0.42) P2RX7ENPP2ATXN2TACR1
SCHEMBL30700290 0.75 MGLL (0.62) MGLL
SCHEMBL30700736 0.75 HCRTR2 (0.35) —
SCHEMBL30700147 0.74 MGLL (0.46) ENPP2ATXN2MGLL
SCHEMBL30700009 0.74 MGLL (0.46) ENPP2ATXN2MGLL
SCHEMBL30700176 0.74 MGLL (0.46) ENPP2ATXN2MGLL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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