SCHEMBL30700736

SCHEMBL30700736

CS(=O)(=O)c1cc(OC(F)(F)F)ccc1COC1CCN(C(=O)N2CC[C@H](c3ncn[nH]3)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 4/20 0.35
▸ HTR2B P41595 1/20 0.34
▸ MAPK7 Q13164 7/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33

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
SCHEMBL30699959 0.88 ENPP2 (0.39) HTR2BMAPK7
SCHEMBL31308055 0.81 ENPP2 (0.37) HCRTR2GPR119DDR1
SCHEMBL30700064 0.80 EPHX2 (0.40) GPR119SCN9A
SCHEMBL30700335 0.79 MGLL (0.44) PRKAA2
SCHEMBL30700338 0.77 GPR119 (0.41) GPR119
SCHEMBL30700707 0.76 GPR119 (0.40) GPR119SCN9A
SCHEMBL27290308 0.75 MGLL (0.43) —
SCHEMBL30700152 0.75 MGLL (0.43) —
SCHEMBL30700699 0.75 P2RX7 (0.38) —
SCHEMBL30700417 0.75 MGLL (0.44) SCN9A

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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