SCHEMBL29028341

SCHEMBL29028341

CCOCCN(C(=O)c1ccc(C#N)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 11)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
CTSS P25774 1/20 0.32
PTGES O14684 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
HDAC8 Q9BY41 2/20 0.30
MCHR1 Q99705 1/20 0.30
LRRK2 Q5S007 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
GFER P55789 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
SCHEMBL29114030 0.94 RXFP1 (0.35) MLYCDRXFP1PTGESMCHR1LRRK2
SCHEMBL29028342 0.92 CTSS (0.34) CTSSPTGESCNR1CNR2HDAC8
SCHEMBL29114036 0.92 CTSS (0.34) RXFP1CTSSPTGESCNR1CNR2
SCHEMBL29114043 0.91 CTSS (0.35) RXFP1CTSSPTGESCNR1CNR2
SCHEMBL12569843 0.88 MLYCD (0.32) MLYCDRXFP1
SCHEMBL12569845 0.88 RXFP1 (0.35) MLYCDRXFP1
SCHEMBL29114042 0.88 CTSS (0.33) RXFP1CTSSPTGESCNR1CNR2
SCHEMBL29114037 0.88 CTSS (0.33) RXFP1CTSSPTGESCNR1CNR2
SCHEMBL29114029 0.87 PTGES (0.37) CTSSPTGESCNR1CNR2
SCHEMBL29114026 0.87 HPGD (0.34) RXFP1CTSSPTGESCNR1CNR2

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