SCHEMBL27292502

SCHEMBL27292502

O=C(N1CC(OCc2ccc(C(F)(F)F)c(Cl)c2)C1)N1CCC(c2ncn[nH]2)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 11/20 0.64
▸ FAAH O00519 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ SCN3A Q9NY46 1/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL30700164 1.00 MGLL (0.64) MGLLFAAHTRPV1SCN3AOPRK1
SCHEMBL27290848 0.83 MGLL (0.47) MGLLFAAH
SCHEMBL27290308 0.82 MGLL (0.43) MGLLFAAHTRPV1
SCHEMBL30700152 0.82 MGLL (0.43) MGLLFAAHTRPV1
SCHEMBL30700176 0.79 MGLL (0.46) MGLLFAAH
SCHEMBL30700009 0.79 MGLL (0.46) MGLLFAAH
SCHEMBL30700174 0.79 MGLL (0.46) MGLLFAAH
SCHEMBL27289695 0.79 MGLL (0.46) MGLLFAAH
SCHEMBL30700147 0.79 MGLL (0.46) MGLLFAAH
SCHEMBL27289691 0.79 MGLL (0.46) MGLLFAAH

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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