SCHEMBL29584470

SCHEMBL29584470

Cc1cc(-c2cc(C(=O)N3CCCCC34CC4)n[nH]2)c(F)cn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.35
▸ SCD O00767 1/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ CNR2 P34972 4/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ TLR9 Q9NR96 7/20 0.33
▸ TLR8 Q9NR97 7/20 0.33
▸ TLR7 Q9NYK1 7/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL29585889 0.87 FFAR4 (0.37) PARP1SCDSCD5CNR2TLR9
SCHEMBL24423119 0.87 FFAR4 (0.37) PARP1SCDSCD5CNR2TLR9
SCHEMBL29243367 0.83 TLR8 (0.33) PARP1TLR9TLR8TLR7PDE4B
SCHEMBL24424507 0.83 TLR8 (0.33) PARP1TLR9TLR8TLR7PDE4B
SCHEMBL24424506 0.83 TLR8 (0.33) PARP1TLR9TLR8TLR7PDE4B
SCHEMBL29584400 0.83 TLR8 (0.33) PARP1TLR9TLR8TLR7PDE4B
SCHEMBL29585034 0.83 TLR8 (0.33) PARP1TLR9TLR8TLR7PDE4B
SCHEMBL29584316 0.83 TLR8 (0.33) PARP1TLR9TLR8TLR7PDE4B
SCHEMBL29585365 0.83 RAB9A (0.40) HTR2ANPC1RAB9A
SCHEMBL25090954 0.82 TLR8 (0.36) PARP1TLR9TLR8TLR7PDE4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP disclosed
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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