SCHEMBL30700439

SCHEMBL30700439

O=C(N1CC(c2ccc(Oc3cnc(C(F)(F)F)cn3)cc2)C1)N1CC[C@H](n2cnnn2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
LIPE Q05469 9/20 0.36
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
BCHE P06276 1/20 0.34
HCRTR1 O43613 1/20 0.33
IDO1 P14902 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL30699964 0.85 SCN9A (0.40) SCN9ASCN7AKCNH2LIPEBCHE
SCHEMBL27291672 0.85 SCN9A (0.40) SCN9ASCN7AKCNH2LIPEBCHE
SCHEMBL30700461 0.84 BTK (0.40) SCN9AFPR1FPR2HCRTR1IDO1
SCHEMBL30700101 0.84 BTK (0.40) SCN9AFPR1FPR2HCRTR1IDO1
SCHEMBL30700128 0.82 PARP10 (0.44) KCNH2HRH3
SCHEMBL30700532 0.82 PARP10 (0.44) KCNH2HRH3
SCHEMBL27291568 0.82 PARP10 (0.44) KCNH2HRH3
SCHEMBL30700300 0.81 SCN9A (0.44) SCN9ASCN7AKCNH2LIPEBCHE
SCHEMBL30700013 0.80 HRH3 (0.40) KCNH2HRH3
SCHEMBL30700222 0.77 SCN9A (0.42) SCN9ASCN7AKCNH2LIPEFPR1

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