SCHEMBL30700770

SCHEMBL30700770

NC(=O)[C@H]1CCN(C(=O)N2CC(OCc3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PTPRZ1 P23471 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TEAD1 P28347 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL30700711 0.89 MGLL (0.42) MGLLSMN1; SMN2CYP2C19RORCTDP1
SCHEMBL30700492 0.83 MGLL (0.44) MGLLSMN1; SMN2CYP2C19KDM4EGAA
SCHEMBL25291484 0.79 PTPRZ1 (0.49) MGLLSMN1; SMN2PTPRZ1MAPK1TEAD1
SCHEMBL30700437 0.78 MGLL (0.40) MGLLSMN1; SMN2PTPRZ1MAPK1TEAD1
SCHEMBL30700355 0.76 GPR119 (0.42) LMNAFAAHMEN1KMT2A
SCHEMBL30700158 0.75 LIPG (0.46) MGLLKDM4EGAATDP1LMNA
SCHEMBL25254853 0.75 GPR119 (0.48) PTPRZ1
SCHEMBL30700465 0.73 MGLL (0.47) MGLLCYP2C19KDM4EMAPTGAA
SCHEMBL30700801 0.73 MGLL (0.47) MGLLCYP2C19KDM4EMAPTGAA
SCHEMBL27288877 0.73 MGLL (0.47) MGLLCYP2C19KDM4EMAPTGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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