SCHEMBL23264286

SCHEMBL23264286

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)F)c1cccc(N(CC2CC2)C(=O)c2ccc(F)nc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.38
PDE4D Q08499 11/20 0.38
PDE4A P27815 5/20 0.38
PDE4C Q08493 5/20 0.38
ABCB11 O95342 1/20 0.38
HDAC8 Q9BY41 2/20 0.32
GPBAR1 Q8TDU6 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
SCHEMBL29431915 1.00 PDE4B (0.38) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL23264305 0.93 PDE4B (0.40) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL23053045 0.92 HDAC8 (0.36) HDAC8GPBAR1
SCHEMBL23264274 0.91 PDE4B (0.35) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29431922 0.91 PDE4B (0.35) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL23264306 0.91 PDE4D (0.35) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL23264310 0.90 PDE4B (0.35) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL23264279 0.90 PDE4B (0.34) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29431906 0.90 PDE4B (0.34) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL23264314 0.90 PDE4B (0.38) PDE4BPDE4DPDE4APDE4CABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112661665-B Amide compound and preparation method and application thereof 南通泰禾化工股份有限公司 2021-09-14 CN disclosed
WO-2021073373-A1 AMIDE COMPOUNDS AND PREPARATION METHOD THEREFOR AND USE THEREOF CAC NANTONG CHEMICAL CO., LTD. (CN) 2021-04-22 WO disclosed
CN-112661665-A Amide compound and preparation method and application thereof 南通泰禾化工股份有限公司 2021-04-16 CN disclosed