SCHEMBL30700426

SCHEMBL30700426

O=C(N1CC[C@H](n2cnnc2)C1)N1CC2(C1)CN(S(=O)(=O)c1ccccc1C(F)(F)F)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ AKR1C3 P42330 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ TRPV4 Q9HBA0 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
SCHEMBL30700057 0.82 KMT2A (0.47) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL30700774 0.78 AKR1C3 (0.42) KMT2AMEN1AKR1C3L3MBTL1ALDH1A1
SCHEMBL30700308 0.77 EPHX2 (0.42) KMT2AMEN1AKR1C3HSD11B1TRPV4
SCHEMBL30700189 0.77 EPHX2 (0.42) KMT2AMEN1AKR1C3HSD11B1TRPV4
SCHEMBL30720227 0.75 MGLL (0.57) KMT2AMEN1AKR1C3L3MBTL1ALDH1A1
SCHEMBL25325494 0.75 KMT2A (0.43) KMT2AMEN1AKR1C3L3MBTL1ALDH1A1
SCHEMBL30700279 0.71 ERAP1 (0.36) KMT2AMEN1ALDH1A1
SCHEMBL31307984 0.70 KMT2A (0.61) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL25325553 0.70 KMT2A (0.39) KMT2AMEN1AKR1C3ALDH1A1POLB
SCHEMBL30700443 0.67 KDM5A (0.40) —

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
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
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO disclosed
Send feedback