SCHEMBL30700259

SCHEMBL30700259

O=C(N1CC(COCc2ccc(C(F)(F)F)nc2)C1)N1CC[C@H](c2nnc[nH]2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.39
▸ CHRNA7 P36544 3/20 0.38
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PREP P48147 1/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP3A5 P20815 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL30700018 0.95 ENPP2 (0.39) ENPP2CHRNA7PIK3CDPIK3R1JAK2
SCHEMBL30700127 0.88 MGLL (0.42) ENPP2CHRNA7PIK3CDPIK3R1JAK2
SCHEMBL30700110 0.86 ENPP2 (0.39) ENPP2CHRNA7PIK3CDPIK3R1JAK2
SCHEMBL30700145 0.82 CHRNA7 (0.43) CHRNA7SCN9A
SCHEMBL30700475 0.81 MGLL (0.38) ENPP2CHRNA7PIK3CDPIK3R1JAK2
SCHEMBL30700282 0.80 ENPP2 (0.38) ENPP2PIK3CDPIK3R1JAK2JAK1
SCHEMBL30700368 0.77 MGLL (0.40) PIK3CDPIK3R1
SCHEMBL30700437 0.75 MGLL (0.40) PIK3CDPIK3R1JAK2JAK1PREP
SCHEMBL30700053 0.71 MGLL (0.40) PIK3CD
SCHEMBL30700845 0.71 TRPC6 (0.39) SCN9ACYP3A4

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