SCHEMBL30700669

SCHEMBL30700669

O=C(N1CC(N(Cc2ccc(C(F)(F)F)cc2F)CC2CC2)C1)N1CC[C@H](n2cnnn2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.41
▸ SLC6A4 P31645 4/20 0.39
▸ MCHR1 Q99705 4/20 0.38
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ LTC4S Q16873 1/20 0.36
▸ HTR2A P28223 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33

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
SCHEMBL30700165 0.88 MCHR1 (0.41) MGLLSLC6A4MCHR1SLC6A2SLC6A3
SCHEMBL30699918 0.82 MGLL (0.41) MGLLMCHR1IDO1ALDH1A1LMNA
SCHEMBL30700088 0.82 MGLL (0.41) MGLLMCHR1IDO1ALDH1A1LMNA
SCHEMBL30700903 0.80 MGLL (0.40) MGLLIDO1ALDH1A1LMNAGPR119
SCHEMBL30700502 0.76 TEAD1 (0.39) MGLLMCHR1IDO1KCNH2
SCHEMBL30700687 0.75 MCHR1 (0.43) MGLLSLC6A4MCHR1SLC6A2SLC6A3
SCHEMBL25325509 0.73 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3LTC4SHTR2A
SCHEMBL25324718 0.72 SLC6A4 (0.40) MGLLSLC6A4MCHR1SLC6A2SLC6A3
SCHEMBL30700163 0.72 MGLL (0.42) MGLLSLC6A4MCHR1SLC6A2SLC6A3
SCHEMBL30699948 0.71 MGLL (0.43) MGLLMCHR1ALDH1A1LMNARORC

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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