SCHEMBL30700477

SCHEMBL30700477

O=C(N1CC[C@H](c2nnc[nH]2)C1)N1CC2(CCC(Nc3cnc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ HCRTR1 O43613 19/20 0.36
▸ HCRTR2 O43614 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
SCHEMBL30700117 0.89 DPP4 (0.40) CCNKCDK12HCRTR1
SCHEMBL30700784 0.85 GPR119 (0.37) HCRTR1HCRTR2
SCHEMBL30700068 0.84 HCRTR1 (0.33) CCNKCDK12HCRTR1HCRTR2
SCHEMBL30700282 0.81 ENPP2 (0.38) —
SCHEMBL30700041 0.81 CCNK (0.44) CCNKCDK12HCRTR1
SCHEMBL30699937 0.81 CCNK (0.44) CCNKCDK12HCRTR1
SCHEMBL25324903 0.80 CCNK (0.38) CCNKCDK12HCRTR1
SCHEMBL30553201 0.80 CCNK (0.38) CCNKCDK12HCRTR1
SCHEMBL30700375 0.78 LOXL2 (0.36) —
SCHEMBL30699966 0.77 LOXL2 (0.33) HCRTR1HCRTR2

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
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