SCHEMBL30700077

SCHEMBL30700077

O=C(N1CC[C@H](n2cnnc2)C1)N1CC2(CC(NCc3ccc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.38
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 0.36
▸ TEAD1 P28347 3/20 0.36
▸ MCHR1 Q99705 2/20 0.34
▸ PDCD1LG2 Q9BQ51 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RORC P51449 2/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ SCN9A Q15858 1/20 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
SCHEMBL30699948 0.90 MGLL (0.43) MGLLTEAD1MCHR1USP2PKM
SCHEMBL30700223 0.82 MGLL (0.39) MGLLENPP2ATXN2TEAD1MCHR1
SCHEMBL30700204 0.82 MGLL (0.39) MGLLENPP2ATXN2TEAD1MCHR1
SCHEMBL25324564 0.79 ENPP2 (0.38) MGLLENPP2ATXN2PDCD1LG2CD274
SCHEMBL30699918 0.79 MGLL (0.41) MGLLTEAD1MCHR1USP2PKM
SCHEMBL30700088 0.79 MGLL (0.41) MGLLTEAD1MCHR1USP2PKM
SCHEMBL30700153 0.78 MGLL (0.44) MGLLENPP2ATXN2
SCHEMBL30700507 0.78 MGLL (0.44) MGLLENPP2ATXN2
SCHEMBL30700903 0.78 MGLL (0.40) MGLLENPP2ATXN2USP2PKM
SCHEMBL30700687 0.77 MCHR1 (0.43) MGLLMCHR1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543870-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-04-30 — — EP claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO claimed
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