SCHEMBL29636731

SCHEMBL29636731

COc1ccc(-c2cc(NC3CCC(NCCCNC(=O)OC(C)(C)C)CC3)c3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.53
ACACB O00763 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ACP1 P24666 11/20 0.48
ACACA Q13085 3/20 0.47

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
SCHEMBL23029670 1.00 KLK7 (0.53) KLK7ACACBL3MBTL1ACP1ACACA
SCHEMBL23015346 0.90 KLK7 (0.58) KLK7L3MBTL1ACP1
SCHEMBL23029671 0.87 KLK7 (0.51) KLK7L3MBTL1ACP1
SCHEMBL23015387 0.83 ACP1 (0.58) ACP1
SCHEMBL29636780 0.83 ACP1 (0.58) ACP1
SCHEMBL23015255 0.83 KLK7 (0.55) KLK7L3MBTL1ACP1
SCHEMBL23015227 0.78 ACP1 (0.56) ACP1
SCHEMBL29908982 0.77 DRD4 (0.42)
SCHEMBL23015360 0.76 ACP1 (0.61) KLK7ACP1ACACA
SCHEMBL29636654 0.76 ACP1 (0.61) KLK7ACP1ACACA

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-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
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 claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
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 disclosed