SCHEMBL30700318

SCHEMBL30700318

NC(=O)[C@H]1CCN(C(=O)N2CCC(OCc3ccc(C(F)(F)F)cc3F)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.45
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ IDO1 P14902 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LIPG Q9Y5X9 4/20 0.41
▸ LPL P06858 3/20 0.40
▸ LIPC P11150 3/20 0.40
▸ ENPP2 Q13822 3/20 0.39
▸ ATXN2 Q99700 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL30700465 0.94 MGLL (0.47) MGLLGAATDP1IDO1CYP1A2
SCHEMBL27288877 0.94 MGLL (0.47) MGLLGAATDP1IDO1CYP1A2
SCHEMBL30700801 0.94 MGLL (0.47) MGLLGAATDP1IDO1CYP1A2
SCHEMBL30700557 0.87 ENPP2 (0.46) MGLLENPP2ATXN2
SCHEMBL30699866 0.82 MGLL (0.45) MGLLLIPGENPP2ATXN2
SCHEMBL30699953 0.82 MGLL (0.45) MGLLLIPGENPP2ATXN2
SCHEMBL30700737 0.80 MGLL (0.47) MGLLGAATDP1CYP1A2CYP3A4
SCHEMBL24095489 0.80 MGLL (0.72) MGLL
SCHEMBL30700370 0.79 FAAH (0.44) MGLLGAATDP1CYP1A2CYP3A4
SCHEMBL30700512 0.79 FAAH (0.44) MGLLGAATDP1CYP1A2CYP3A4

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 5 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
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO disclosed
Send feedback