SCHEMBL30700835

SCHEMBL30700835

CS(=O)(=O)c1cc(C(F)(F)F)ccc1C1CC2(C1)CN(C(=O)N1CC[C@H](c3nnc[nH]3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 9/20 0.38
▸ NR1I2 O75469 3/20 0.37
▸ SLC6A9 P48067 1/20 0.34
▸ SLC9A1 P19634 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ TYK2 P29597 3/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ MGLL Q99685 3/20 0.32

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
SCHEMBL25324153 0.82 CACNA1B (0.40) CACNA1BNR1I2SLC6A9CYP3A4TYK2
SCHEMBL30700390 0.79 GPBAR1 (0.36) MGLL
SCHEMBL30699868 0.78 MGLL (0.34) PROKR1MGLL
SCHEMBL30700020 0.77 MGLL (0.33) MGLL
SCHEMBL30700668 0.77 MGLL (0.36) MGLL
SCHEMBL30700204 0.77 MGLL (0.39) TYK2JAK2JAK1MGLL
SCHEMBL30700223 0.77 MGLL (0.39) TYK2JAK2JAK1MGLL
SCHEMBL30700444 0.76 MGLL (0.41) CYP3A4TYK2JAK2JAK1MGLL
SCHEMBL31308016 0.75 ENPP2 (0.41) CYP3A4TYK2JAK2JAK1MGLL
SCHEMBL31307999 0.75 ENPP2 (0.41) CYP3A4TYK2JAK2JAK1MGLL

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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