SCHEMBL25918770

SCHEMBL25918770

O=C(N1CC(COc2ccc(C(F)(F)F)cc2)C1)N1CC2(CC(c3nnc(C4(O)CC4)[nH]3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 14/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ MGLL Q99685 4/20 0.33
▸ SCN9A Q15858 2/20 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
SCHEMBL25323450 0.87 MGLL (0.35) KCNH2MGLL
SCHEMBL25327453 0.82 CCR1 (0.34) MGLL
SCHEMBL25327491 0.81 MGLL (0.40) MGLLSCN9A
SCHEMBL25324592 0.80 MGLL (0.32) MGLL
SCHEMBL25326166 0.79 MGLL (0.41) MGLL
SCHEMBL25325243 0.79 MGLL (0.37) MGLLSCN9A
SCHEMBL25326001 0.78 GAA (0.35) MGLL
SCHEMBL30553308 0.78 ENPP2 (0.39) MGLL
SCHEMBL25326619 0.78 MGLL (0.39) MGLL
SCHEMBL25325303 0.77 MGLL (0.37) 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-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
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