SCHEMBL30700845

SCHEMBL30700845

O=C(N1CC(c2ccc(Oc3cnc(C(F)(F)F)nc3)cc2)C1)N1CC[C@H](c2nnc[nH]2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 5/20 0.39
▸ MGLL Q99685 3/20 0.37
▸ LIPE Q05469 3/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ F2R P25116 2/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27291566 0.82 SCN9A (0.41) MGLLLIPESCN9AF2R
SCHEMBL30699973 0.82 SCN9A (0.41) MGLLLIPESCN9AF2R
SCHEMBL30700514 0.80 HRH3 (0.43) TRPC6LIPEPARP10ALDH1A1GAA
SCHEMBL30700368 0.79 MGLL (0.40) MGLL
SCHEMBL30700399 0.77 MGLL (0.37) MGLLF2RHSD11B1
SCHEMBL27291240 0.76 MGLL (0.36) MGLLSCN9AF2R
SCHEMBL30700145 0.76 CHRNA7 (0.43) MGLLLIPESCN9A
SCHEMBL30700372 0.74 MGLL (0.42) MGLLF2RCYP3A4
SCHEMBL31615784 0.72 DDB1 (0.48) LIPEALDH1A1MAPTHTT
SCHEMBL30700168 0.72 HRH3 (0.45) MGLLHSD11B1RAB9A

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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