SCHEMBL29028342

SCHEMBL29028342

CCOCCN(C(=O)c1ccc(F)cc1)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
PTGES O14684 5/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
F2R P25116 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL29114042 0.96 CTSS (0.33) CTSSKCNK3KCNK9PTGESCNR1
SCHEMBL29114036 0.95 CTSS (0.34) CTSSKCNK3KCNK9PTGESCNR1
SCHEMBL29114043 0.95 CTSS (0.35) CTSSKCNK3KCNK9PTGESCNR1
SCHEMBL29028501 0.93 GPBAR1 (0.34) PTGESHDAC8KDM4E
SCHEMBL29028341 0.92 MLYCD (0.34) CTSSPTGESCNR1CNR2HDAC8
SCHEMBL29114037 0.91 CTSS (0.33) CTSSKCNK3KCNK9PTGESCNR1
SCHEMBL29114029 0.91 PTGES (0.37) CTSSPTGESCNR1CNR2
SCHEMBL29114026 0.90 HPGD (0.34) CTSSKCNK3KCNK9PTGESCNR1
SCHEMBL29114027 0.90 PTGES (0.33) PTGESHDAC8KDM4E
SCHEMBL29114041 0.89 GPBAR1 (0.36) PTGESHDAC8MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4610251-A1 HEPTAFLUOROISOPROPYL-CONTAINING BISAMIDE COMPOUND AND INTERMEDIATE COMPOUND THEREOF, AND PREPARATION METHODS THEREFOR AND USE THEREOF Zhejiang Udragon Pesticides And Chemicals Co., Ltd. (CN) 2025-09-03 EP disclosed
CN-116947679-A Bisamide compound containing sevoflurane isopropyl, and preparation method and application thereof 浙江宇龙药业有限公司 2023-10-27 CN disclosed
CN-115925576-B Bisamide compound containing sevoflurane isopropyl, and preparation method and application thereof 浙江宇龙药业有限公司 2023-08-08 CN disclosed
CN-115974717-A Heptafluoroisopropyl-containing bisamide compound and intermediate compound thereof, and preparation method and application thereof 浙江宇龙药业有限公司 2023-04-18 CN disclosed