SCHEMBL30699993

SCHEMBL30699993

NC(=O)C1CCCN(C(=O)N2CC3(CCN(Cc4ccc(C(F)(F)F)cc4F)CC3)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.42
▸ ATXN2 Q99700 3/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ CYP3A4 P08684 5/20 0.40
▸ CYP2D6 P10635 5/20 0.40
▸ TSHR P16473 5/20 0.40
▸ MGLL Q99685 2/20 0.40
▸ USP2 O75604 4/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ MCHR1 Q99705 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL30700371 0.95 ENPP2 (0.43) ENPP2ATXN2CYP3A4CYP2D6TSHR
SCHEMBL30700172 0.95 ENPP2 (0.43) ENPP2ATXN2CYP3A4CYP2D6TSHR
SCHEMBL30700512 0.88 FAAH (0.44) ENPP2ATXN2CYP3A4CYP2D6TSHR
SCHEMBL30700370 0.88 FAAH (0.44) ENPP2ATXN2CYP3A4CYP2D6TSHR
SCHEMBL30700114 0.83 ENPP2 (0.41) ENPP2ATXN2CYP3A4CYP2D6TSHR
SCHEMBL25253780 0.79 FAAH (0.47) ENPP2ATXN2CYP3A4CYP2D6TSHR
SCHEMBL31308016 0.78 ENPP2 (0.41) ENPP2ATXN2CYP3A4CYP2D6TSHR
SCHEMBL31307999 0.78 ENPP2 (0.41) ENPP2ATXN2CYP3A4CYP2D6TSHR
SCHEMBL30700573 0.78 ENPP2 (0.41) ENPP2ATXN2CYP3A4CYP2D6TSHR
SCHEMBL25323714 0.77 ENPP2 (0.43) ENPP2ATXN2CYP3A4CYP2D6TSHR

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
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