SCHEMBL26064896

SCHEMBL26064896

Cc1nc(C(F)(F)F)ccc1[S+]([O-])N1CC2(CN(C3CCOCC3)C2)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KCNH2 Q12809 3/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM5 P08912 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 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
SCHEMBL26065152 0.86 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL26065150 0.85 TLR9 (0.33) TLR9TLR8TLR7
SCHEMBL26065155 0.85 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL26065894 0.84 KCNH2 (0.36) KCNH2
SCHEMBL26065211 0.81 PDE2A (0.33) —
SCHEMBL26065233 0.79 — —
SCHEMBL26065215 0.78 PDE2A (0.31) —
SCHEMBL26065204 0.78 PDE2A (0.35) —
SCHEMBL26065913 0.77 — —
SCHEMBL26064848 0.77 CHRM2 (0.40) KCNH2IRAK4CHRM2CHRM4CHRM5

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-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 — — WO disclosed
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