SCHEMBL30700737

SCHEMBL30700737

NC(=O)[C@H]1CCN(C(=O)N2CC(NCc3ccc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.47
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TEAD1 P28347 3/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MCHR1 Q99705 5/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ F2R P25116 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ EPHX2 P34913 1/20 0.37

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
SCHEMBL30700801 0.82 MGLL (0.47) MGLLGAATDP1CYP1A2CYP3A4
SCHEMBL30700465 0.82 MGLL (0.47) MGLLGAATDP1CYP1A2CYP3A4
SCHEMBL27288877 0.82 MGLL (0.47) MGLLGAATDP1CYP1A2CYP3A4
SCHEMBL30699948 0.82 MGLL (0.43) MGLLTEAD1MCHR1SCN9AF2R
SCHEMBL30700318 0.80 MGLL (0.45) MGLLGAATDP1CYP1A2CYP3A4
SCHEMBL30699918 0.80 MGLL (0.41) MGLLTEAD1MCHR1SCN9AF2R
SCHEMBL30700088 0.80 MGLL (0.41) MGLLTEAD1MCHR1SCN9AF2R
SCHEMBL30700370 0.79 FAAH (0.44) MGLLGAATDP1CYP1A2CYP3A4
SCHEMBL30700371 0.79 ENPP2 (0.43) MGLLGAATDP1CYP1A2CYP3A4
SCHEMBL30700512 0.79 FAAH (0.44) MGLLGAATDP1CYP1A2CYP3A4

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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