SCHEMBL30553137

SCHEMBL30553137

O=C(N1CC(c2ccc(OC(F)(F)F)c(F)c2)C1)N1CC2(CC(c3nnc(C4(O)CC4)[nH]3)C2)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 11/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ ENPP2 Q13822 2/20 0.34
▸ ATXN2 Q99700 2/20 0.34
▸ MGLL Q99685 4/20 0.33
▸ BTK Q06187 1/20 0.31
▸ ABHD6 Q9BV23 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
SCHEMBL25325358 1.00 PDE2A (0.35) PDE2AEPHX2ENPP2ATXN2MGLL
SCHEMBL25325783 0.89 PDE2A (0.41) PDE2AEPHX2ENPP2ATXN2MGLL
SCHEMBL25325772 0.85 RIPK1 (0.33) MGLL
SCHEMBL25325639 0.81 F2R (0.33) EPHX2ENPP2ATXN2MGLL
SCHEMBL25325039 0.80 MGLL (0.40) PDE2AMGLL
SCHEMBL25325994 0.80 MGLL (0.34) MGLL
SCHEMBL25324716 0.79 MGLL (0.31) MGLL
SCHEMBL25324592 0.78 MGLL (0.32) MGLL
SCHEMBL25323304 0.77 MGLL (0.39) MGLL
SCHEMBL30553247 0.77 MGLL (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
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