SCHEMBL30700786

SCHEMBL30700786

O=C(N1CC(NCc2ccc(C(F)(F)F)cc2F)C1)N1CC[C@H](c2cnn[nH]2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.44
▸ TEAD1 P28347 3/20 0.38
▸ MCHR1 Q99705 4/20 0.36
▸ F2R P25116 4/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL30700543 0.85 MGLL (0.44) MGLLPIK3CAPRKAA2
SCHEMBL30700343 0.85 MGLL (0.44) MGLLPIK3CAPRKAA2
SCHEMBL27292383 0.85 MGLL (0.44) MGLLPIK3CAPRKAA2
SCHEMBL27290138 0.85 MGLL (0.44) MGLLPIK3CAPRKAA2
SCHEMBL30700001 0.85 MGLL (0.44) MGLLPIK3CAPRKAA2
SCHEMBL27290140 0.85 MGLL (0.44) MGLLPIK3CAPRKAA2
SCHEMBL30700403 0.84 MGLL (0.43) MGLLPIK3CAPRKAA2
SCHEMBL30700764 0.83 MGLL (0.46) MGLLTEAD1MCHR1F2RJAK2
SCHEMBL30700322 0.83 MGLL (0.44) MGLLTEAD1MCHR1F2RJAK2
SCHEMBL30700278 0.83 MGLL (0.46) MGLLTEAD1MCHR1F2RJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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