SCHEMBL30699981

SCHEMBL30699981

NC(=O)[C@H]1CCN(C(=O)N2CC3(CC(Cc4cccc(S(=O)(=O)C(F)(F)F)c4)C3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TNF P01375 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RORC P51449 3/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 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
SCHEMBL30700451 0.88 ALDH1A1 (0.39) ALDH1A1NPSR1SMN1; SMN2TNFLMNA
SCHEMBL30775743 0.81 MGLL (0.49) MGLL
SCHEMBL25295236 0.81 MGLL (0.36) MGLLNPSR1USP2SMN1; SMN2LMNA
SCHEMBL30700690 0.81 MGLL (0.39) MGLLALDH1A1SMN1; SMN2LMNABTK
SCHEMBL30700748 0.81 MGLL (0.39) MGLLBTK
SCHEMBL30700711 0.79 MGLL (0.42) MGLLALDH1A1NPSR1PDK2USP2
SCHEMBL25324843 0.79 MGLL (0.42) MGLLBTK
SCHEMBL30699883 0.79 CCR5 (0.40) ALDH1A1SMN1; SMN2TNFLMNASTAT3
SCHEMBL30700534 0.78 MGLL (0.39) MGLLPDK2SMN1; SMN2TNFLMNA
SCHEMBL31549774 0.77 MGLL (0.36) MGLL

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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