SCHEMBL31549787

SCHEMBL31549787

O=C(N1CC(OCc2ccc(C(F)(F)F)cc2F)C1)N1CC2(CCS(=O)(=O)N2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.43
▸ ENPP2 Q13822 4/20 0.38
▸ ATXN2 Q99700 4/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ FFAR1 O14842 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR2A P28223 1/20 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
SCHEMBL31549823 0.85 ENPP2 (0.43) MGLLENPP2ATXN2IDO1FFAR1
SCHEMBL20695464 0.84 MGLL (0.47) MGLLENPP2ATXN2IDO1CYP11B1
SCHEMBL31549816 0.83 MGLL (0.42) MGLLENPP2ATXN2IDO1FFAR1
SCHEMBL31549744 0.81 ENPP2 (0.37) MGLLENPP2ATXN2SLC6A4
SCHEMBL19411886 0.77 IDO1 (0.48) MGLLENPP2ATXN2IDO1FFAR1
SCHEMBL31549762 0.76 EPHX2 (0.36) MGLLENPP2ATXN2
SCHEMBL25324545 0.76 ENPP2 (0.41) MGLLENPP2ATXN2IDO1LIPG
SCHEMBL30700056 0.75 MGLL (0.41) MGLLIDO1FFAR1NAAALIPG
SCHEMBL30700026 0.75 MGLL (0.44) MGLLENPP2ATXN2IDO1NAAA
SCHEMBL30553308 0.74 ENPP2 (0.39) MGLLENPP2ATXN2IDO1FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068347-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2025-04-03 — — WO claimed
WO-2025068347-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2025-04-03 — — WO disclosed
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