SCHEMBL30700626

SCHEMBL30700626

CS(=O)(=O)c1cc(C(F)(F)F)ccc1OCC1CCN(C(=O)N2CC[C@H](c3ncn[nH]3)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.49
▸ SLC6A9 P48067 6/20 0.42
▸ SCN8A Q9UQD0 2/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ SCN7A Q01118 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ CACNA1B Q00975 2/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ RBP4 P02753 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ LPL P06858 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
SCHEMBL30700707 0.84 GPR119 (0.40) MGLLSCN9AGPR119
SCHEMBL30700591 0.80 MGLL (0.40) MGLLPIM1CACNA1BNR1I2
SCHEMBL25326417 0.77 MGLL (0.39) MGLLSLC6A9SCN8ASCN1ASCN4A
SCHEMBL30700162 0.76 TGFBR1 (0.44) MGLLPIM1
SCHEMBL30700269 0.76 F2 (0.38) MGLLSCN7ASCN5AGPR119
SCHEMBL30700122 0.76 SCN7A (0.38) MGLLSLC6A9SCN8ASCN7ASCN5A
SCHEMBL25327644 0.75 MGLL (0.38) MGLLSLC6A9SCN8ASCN1ASCN4A
SCHEMBL30700335 0.74 MGLL (0.44) MGLLPIM1LIPELPLLIPG
SCHEMBL30700193 0.73 PSEN1 (0.43) KCNH2
SCHEMBL30700706 0.73 PSEN1 (0.41) MGLLPIM1

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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