SCHEMBL30700117

SCHEMBL30700117

O=C(N1CC[C@H](c2nnc[nH]2)C1)N1CC2(CCC(Nc3ccc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.40
▸ CCR6 P51684 8/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CCNK O75909 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ CXCR3 P49682 1/20 0.36
▸ SYK P43405 3/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ CCR7 P32248 1/20 0.35
▸ MAP3K12 Q12852 1/20 0.35
▸ PAK1 Q13153 1/20 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
SCHEMBL30700477 0.89 CCNK (0.41) CCNKCDK12HCRTR1
SCHEMBL30699868 0.79 MGLL (0.34) MAP3K12
SCHEMBL30700195 0.78 ENPP2 (0.35) —
SCHEMBL30700414 0.78 ENPP2 (0.35) —
SCHEMBL30700261 0.78 ENPP2 (0.35) —
SCHEMBL30700454 0.78 PPARG (0.41) —
SCHEMBL30700282 0.77 ENPP2 (0.38) CYP3A4
SCHEMBL31308016 0.76 ENPP2 (0.41) CYP3A4CYP2D6CYP2C9
SCHEMBL31307999 0.76 ENPP2 (0.41) CYP3A4CYP2D6CYP2C9
SCHEMBL30700573 0.76 ENPP2 (0.41) CYP3A4CYP2D6CYP2C9

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