SCHEMBL30700869

SCHEMBL30700869

CS(=O)(=O)c1cc(F)ccc1CC1CC2(C1)CN(C(=O)N1CC[C@H](c3ncn[nH]3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.37
▸ GPR119 Q8TDV5 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ CALCA P06881 1/20 0.32
▸ CCNT1 O60563 5/20 0.32
▸ CDK9 P50750 5/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ MDM2 Q00987 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30

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
SCHEMBL30700591 0.90 MGLL (0.40) MGLLPAK1
SCHEMBL30700887 0.89 MGLL (0.40) MGLLPAK1
SCHEMBL30700714 0.86 MGLL (0.43) MGLL
SCHEMBL30699852 0.82 MGLL (0.42) MGLLGPBAR1
SCHEMBL30700116 0.82 MGLL (0.42) MGLLGPR119GPBAR1PTGDR2
SCHEMBL30700467 0.82 GPBAR1 (0.40) MGLLGPR119GPBAR1
SCHEMBL30700294 0.82 MGLL (0.40) MGLLPAK1CYP11B1CYP11B2
SCHEMBL25323946 0.82 MGLL (0.42) MGLLGPR119CYP11B1CYP11B2
SCHEMBL30700423 0.81 MGLL (0.44) MGLLPAK1
SCHEMBL30700280 0.81 MGLL (0.37) MGLLGPR119GPBAR1CYP11B1CYP11B2

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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