SCHEMBL30630568

SCHEMBL30630568

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.37
▸ TBK1 Q9UHD2 3/20 0.34
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ FFAR1 O14842 6/20 0.32
▸ CCR2 P41597 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ TRPC6 Q9Y210 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CRBN Q96SW2 1/20 0.30
▸ PDE4B Q07343 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
SCHEMBL25090729 1.00 FFAR4 (0.37) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL24424040 1.00 FFAR4 (0.37) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL29584301 1.00 FFAR4 (0.37) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL30298816 0.92 KDM5A (0.31) FFAR4PDE4B
SCHEMBL29584811 0.92 FFAR4 (0.40) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL24423491 0.92 FFAR4 (0.40) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL24423493 0.92 FFAR4 (0.40) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL29584337 0.92 FFAR4 (0.40) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL24424096 0.92 FFAR4 (0.40) FFAR4TBK1TLR9TLR8TLR7
SCHEMBL29584553 0.92 FFAR4 (0.40) 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
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
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