SCHEMBL30700172

SCHEMBL30700172

NC(=O)[C@H]1CCN(C(=O)N2CC3(CCN(Cc4ccc(C(F)(F)F)cc4F)CC3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.43
▸ ATXN2 Q99700 3/20 0.43
▸ MGLL Q99685 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ GPR183 P32249 5/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ PRKX P51817 1/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ TSHR P16473 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
SCHEMBL30700371 1.00 ENPP2 (0.43) ENPP2ATXN2MGLLATMGAA
SCHEMBL30699993 0.95 ENPP2 (0.42) ENPP2ATXN2MGLLATMFAAH
SCHEMBL30700370 0.93 FAAH (0.44) ENPP2ATXN2MGLLATMGAA
SCHEMBL30700512 0.93 FAAH (0.44) ENPP2ATXN2MGLLATMGAA
SCHEMBL30700114 0.86 ENPP2 (0.41) ENPP2ATXN2MGLLFAAHGPR183
SCHEMBL31308002 0.81 EPHX2 (0.42) MGLLATMGAATDP1CYP2C9
SCHEMBL25253780 0.80 FAAH (0.47) ENPP2ATXN2MGLLFAAHGPR183
SCHEMBL30699891 0.80 GAA (0.43) ENPP2ATXN2MGLLATMGAA
SCHEMBL30700102 0.80 GAA (0.43) ENPP2ATXN2MGLLATMGAA
SCHEMBL31308016 0.80 ENPP2 (0.41) ENPP2ATXN2MGLLFAAHGPR183

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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