SCHEMBL30700784

SCHEMBL30700784

O=C(N1CCC(c2nnc[nH]2)C1)N1CC2(CCC(Oc3cnc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.37
▸ HCRTR1 O43613 9/20 0.33
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ MDM2 Q00987 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ LIPE Q05469 2/20 0.31

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
SCHEMBL30700375 0.88 LOXL2 (0.36) GPR119LOXL2MDM2
SCHEMBL30699966 0.88 LOXL2 (0.33) GPR119HCRTR1LOXL2HCRTR2
SCHEMBL30700477 0.85 CCNK (0.41) HCRTR1HCRTR2
SCHEMBL30700206 0.84 MALT1 (0.35) GPR119LOXL2MDM2
SCHEMBL30700068 0.83 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL30700138 0.81 GPR119 (0.36) GPR119HCRTR1LOXL2HCRTR2
SCHEMBL30700595 0.80 GPR119 (0.37) GPR119HCRTR1LOXL2HCRTR2LIPE
SCHEMBL30700450 0.80 GPR119 (0.38) GPR119HCRTR1LOXL2LIPE
SCHEMBL30700282 0.80 ENPP2 (0.38) —
SCHEMBL25326437 0.79 GPR119 (0.35) GPR119HCRTR1LOXL2HCRTR2

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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