SCHEMBL30700757

SCHEMBL30700757

O=C(N1CC[C@H](c2ncn[nH]2)C1)N1CC2(CC[C@@H](Cc3cnc(C(F)(F)F)cn3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.38
▸ LCAT P04180 2/20 0.31
▸ EGLN2 Q96KS0 1/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30
▸ EGLN3 Q9H6Z9 1/20 0.30

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
SCHEMBL30700419 1.00 MGLL (0.38) MGLLLCATEGLN2EGLN1EGLN3
SCHEMBL30700334 0.95 MGLL (0.36) MGLLLCATEGLN2EGLN1EGLN3
SCHEMBL30700187 0.94 MGLL (0.43) MGLLLCATEGLN2EGLN1EGLN3
SCHEMBL30699952 0.89 MGLL (0.38) MGLL
SCHEMBL30700138 0.83 GPR119 (0.36) MGLL
SCHEMBL30700427 0.83 MGLL (0.42) MGLL
SCHEMBL30700373 0.82 MGLL (0.43) MGLLLCAT
SCHEMBL30700274 0.82 MGLL (0.41) MGLL
SCHEMBL27373057 0.80 MGLL (0.47) MGLL
SCHEMBL27373058 0.80 MGLL (0.47) MGLL

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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