SCHEMBL25913339

SCHEMBL25913339

CS(=O)(=O)c1cc(F)cc(CC2CC3(C2)CN(C(=O)N2CC4(CC(c5nnc[nH]5)C4)C2)C3)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ MAPK1 P28482 1/20 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
SCHEMBL30700215 0.92 GPBAR1 (0.37) MGLLGPBAR1MAPK1
SCHEMBL25325560 0.88 MGLL (0.38) MGLLGPBAR1MAPK1
SCHEMBL30553267 0.84 MGLL (0.34) MGLLGPBAR1
SCHEMBL25324163 0.84 MGLL (0.34) MGLLGPBAR1
SCHEMBL30700095 0.82 MGLL (0.37) MGLLGPBAR1
SCHEMBL25260188 0.79 GPR119 (0.33) GPBAR1MAPK1
SCHEMBL30410329 0.77 MGLL (0.43) MGLL
SCHEMBL30700327 0.76 GPR119 (0.34) MGLLGPBAR1
SCHEMBL30409753 0.76 MGLL (0.42) MGLL
SCHEMBL27155124 0.75 MGLL (0.61) MGLLGPBAR1MAPK1

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-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
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