SCHEMBL29381908

SCHEMBL29381908

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F)c1cccc(N(CC2CC2)C(=O)c2ccc(F)cc2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.36
GPBAR1 Q8TDU6 1/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
HSD11B1 P28845 1/20 0.33
S1PR1 P21453 1/20 0.32
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
ACHE P22303 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
SLC6A3 Q01959 3/20 0.30
CHRM4 P08173 1/20 0.30
CYP3A4 P08684 1/20 0.30
CHRM5 P08912 1/20 0.30
CYP2D6 P10635 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL29704540 1.00 HDAC8 (0.36) HDAC8GPBAR1SLC6A2SLC6A4HSD11B1
SCHEMBL21705019 1.00 HDAC8 (0.36) HDAC8GPBAR1SLC6A2SLC6A4HSD11B1
SCHEMBL21707891 0.95 HDAC8 (0.36) HDAC8GPBAR1SLC6A2SLC6A4HSD11B1
SCHEMBL21701270 0.95 HDAC8 (0.38) HDAC8GPBAR1SLC6A2SLC6A4HSD11B1
SCHEMBL29379570 0.95 HDAC8 (0.38) HDAC8GPBAR1SLC6A2SLC6A4HSD11B1
SCHEMBL30979910 0.95 HDAC8 (0.36) HDAC8GPBAR1SLC6A2SLC6A4HSD11B1
SCHEMBL21693652 0.94 HDAC8 (0.36) HDAC8GPBAR1SLC6A2SLC6A4HSD11B1
SCHEMBL30979920 0.94 HDAC8 (0.35) HDAC8GPBAR1SLC6A2SLC6A4HSD11B1
SCHEMBL21707893 0.94 HDAC8 (0.35) HDAC8GPBAR1SLC6A2SLC6A4HSD11B1
SCHEMBL21693747 0.94 S1PR1 (0.38) HDAC8GPBAR1SLC6A2SLC6A4HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3816150-B1 M-DIAMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CAC SHANGHAI INT TRADING CO LTD (CN) 2024-07-24 EP claimed
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-113767908-B Pharmaceutical composition containing m-diamide compound and application thereof 南通泰禾化工股份有限公司 2022-11-18 CN disclosed
CN-112707841-B 3-N-cyclopropylmethyl-2-fluorobenzamide compound and preparation method and application thereof 南通泰禾化工股份有限公司 2022-08-23 CN disclosed
CN-110810410-B Pharmaceutical composition containing m-diamide compound and application thereof 南通泰禾化工股份有限公司 2022-02-11 CN disclosed