SCHEMBL24423513

SCHEMBL24423513

COc1cc(-c2cc(C(=O)N3CC[C@H](C=O)CC34CC4)n[nH]2)c(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.39
▸ TBK1 Q9UHD2 3/20 0.33
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ FFAR1 O14842 8/20 0.32
▸ KDM5A P29375 3/20 0.31
▸ MC4R P32245 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CRBN Q96SW2 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
SCHEMBL24423009 1.00 FFAR4 (0.39) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL24423278 0.91 FFAR4 (0.38) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL29584337 0.87 FFAR4 (0.40) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL29584553 0.87 FFAR4 (0.40) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL29584811 0.87 FFAR4 (0.40) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL24423493 0.87 FFAR4 (0.40) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL24424096 0.87 FFAR4 (0.40) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL24423491 0.87 FFAR4 (0.40) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL25090729 0.86 FFAR4 (0.37) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL24424523 0.86 FFAR4 (0.37) FFAR4TBK1TLR9TLR8TLR7

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-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
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