SCHEMBL29636699

SCHEMBL29636699

COc1ccc(-c2cc(NCCC(=O)OC(C)(C)C)c3ccccc3n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 17/20 0.64
PDE10A Q9Y233 1/20 0.59

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
SCHEMBL23015242 1.00 ACP1 (0.64) ACP1PDE10A
SCHEMBL23029659 0.84 ACP1 (0.62) ACP1PDE10A
SCHEMBL29874755 0.84 ACP1 (0.67) ACP1PDE10A
SCHEMBL23015265 0.84 ACP1 (0.67) ACP1PDE10A
SCHEMBL23015387 0.83 ACP1 (0.58) ACP1
SCHEMBL29636780 0.83 ACP1 (0.58) ACP1
Hydrochloric Acid SCHEMBL6534236 0.81 ACP1 (0.75) ACP1
SCHEMBL23015177 0.80 ACP1 (0.73) ACP1
SCHEMBL23015370 0.78 ACP1 (0.64) ACP1PDE10A
SCHEMBL23015135 0.78 ACP1 (0.73) ACP1

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
EP-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN disclosed