SCHEMBL25145889

SCHEMBL25145889

O=C1NC2(CO1)CN(C(=O)N1CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.48
▸ SCN9A Q15858 1/20 0.46
▸ PKM P14618 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ GPR183 P32249 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKLR P30613 2/20 0.37
▸ CNR1 P21554 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
SCHEMBL30409945 0.91 MGLL (0.48) MGLLSCN9AAKR1C3
SCHEMBL25145896 0.89 MEN1 (0.43) MGLLSCN9APKMMEN1KMT2A
SCHEMBL25146099 0.88 SCN9A (0.44) MGLLSCN9APKMALDH1A1AKR1C3
SCHEMBL25146248 0.85 SCN9A (0.47) MGLLSCN9APKMALDH1A1AKR1C3
SCHEMBL25145990 0.83 CHRM1 (0.44) MGLLPKMALDH1A1AKR1C3MEN1
SCHEMBL30409598 0.80 MGLL (0.41) MGLLAKR1C3MEN1KMT2APOLB
SCHEMBL25146054 0.79 MGLL (0.48) MGLLAKR1C3PKLR
SCHEMBL30409338 0.79 AKR1C3 (0.40) MGLLSCN9AAKR1C3MEN1KMT2A
SCHEMBL30408465 0.78 SCN9A (0.41) MGLLSCN9AAKR1C3MEN1KMT2A
SCHEMBL25145596 0.76 L3MBTL1 (0.42) MGLLALDH1A1GAALMNAPOLB

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-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO disclosed
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