SCHEMBL31549762

SCHEMBL31549762

O=C(N1CC2(CC(c3ccc(C(F)(F)F)cc3F)C2)C1)N1CC2(CCS(=O)(=O)N2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.36
▸ MGLL Q99685 8/20 0.35
▸ ABHD6 Q9BV23 2/20 0.34
▸ ENPP2 Q13822 3/20 0.32
▸ ATXN2 Q99700 3/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ SLC6A9 P48067 1/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL31549744 0.84 ENPP2 (0.37) EPHX2MGLLABHD6ENPP2ATXN2
SCHEMBL30409884 0.80 MGLL (0.52) MGLL
SCHEMBL30410209 0.78 MGLL (0.39) MGLLABHD6
SCHEMBL25326498 0.78 PDE2A (0.38) MGLLABHD6ENPP2ATXN2TSHR
SCHEMBL31549811 0.77 MGLL (0.37) MGLLENPP2ATXN2
SCHEMBL25324588 0.77 PSEN1 (0.36) EPHX2MGLLABHD6ENPP2ATXN2
SCHEMBL31549787 0.76 MGLL (0.43) MGLLENPP2ATXN2
SCHEMBL31549734 0.75 MGLL (0.35) MGLLFFAR4TSHR
SCHEMBL23850280 0.73 ABHD6 (0.44) MGLLABHD6
SCHEMBL31549809 0.73 ABHD6 (0.44) MGLLABHD6

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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