SCHEMBL30700041

SCHEMBL30700041

NC(=O)[C@@H]1CCN(C(=O)N2CC3(CCC(Nc4cnc(C(F)(F)F)cn4)CC3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 1/20 0.44
▸ CDK12 Q9NYV4 1/20 0.44
▸ HCRTR1 O43613 15/20 0.38
▸ SYK P43405 1/20 0.35
▸ CCR2 P41597 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL30699937 1.00 CCNK (0.44) CCNKCDK12HCRTR1SYKCCR2
SCHEMBL30699932 0.83 LMNA (0.34) CCNKCDK12KDM4EABL1LMNA
SCHEMBL30700450 0.82 GPR119 (0.38) HCRTR1KDM4EABL1LMNA
SCHEMBL30700477 0.81 CCNK (0.41) CCNKCDK12HCRTR1
SCHEMBL30700376 0.79 ABHD6 (0.39) HCRTR1KDM4EABL1LMNAGAA
SCHEMBL30700504 0.78 MGLL (0.40) CCNKCDK12KDM4EABL1LMNA
SCHEMBL30700306 0.78 LMNA (0.36) KCNH2KDM4EABL1LMNAGAA
SCHEMBL25146253 0.77 HCRTR1 (0.39) CCNKCDK12HCRTR1
SCHEMBL30408525 0.77 HCRTR1 (0.39) CCNKCDK12HCRTR1
SCHEMBL25324903 0.77 CCNK (0.38) CCNKCDK12HCRTR1

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 4 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
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO claimed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN disclosed
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