SCHEMBL30723493

SCHEMBL30723493

Nc1nc(F)cc(OCC(F)F)c1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ PDE8A O60658 4/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ SCN9A Q15858 2/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ REN P00797 2/20 0.31
▸ CTSD P07339 2/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ BACE2 Q9Y5Z0 2/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ ACACB O00763 3/20 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
SCHEMBL25212692 0.77 MBOAT4 (0.33) HTR2AHTR2CHTR2BTLR8REN
SCHEMBL16703136 0.74 SCN9A (0.33) HTR2AHTR2CHTR2BSCN9AREN
SCHEMBL18205343 0.74 PDE8A (0.32) PDE8APDE2APDE4DKCNH2PDE10A
SCHEMBL29778825 0.72 BACE1 (0.33) HTR2AHTR2CHTR2BPDE8ATLR8
SCHEMBL21608759 0.72 BACE1 (0.33) HTR2AHTR2CHTR2BPDE8ATLR8
SCHEMBL30723514 0.71 P2RX3 (0.36) HTR2ATLR8SCN9ARENCTSD
SCHEMBL21608777 0.71 P2RX3 (0.36) HTR2ATLR8SCN9ARENCTSD
SCHEMBL22235500 0.69 HTT (0.46) HTR2AHTR2CHTR2BTLR8
SCHEMBL23915311 0.67 BACE1 (0.36) HTR2AHTR2CHTR2BSCN9AREN
SCHEMBL23641518 0.67 SCN9A (0.38) SCN9A

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
CN-112292375-B Substituted alkoxypyridinyl indole sulfonamides 优时比制药有限公司 2023-12-05 — — CN disclosed
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