Azepane

Azepane

SCHEMBL28320281

C1CCCNCC1.CC(C)(C)OC=O.CC(C)(C)OC=O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 1/20 0.41

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
Azepane SCHEMBL27758894 1.00 TDP1 (0.59) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL27314917 1.00 TDP1 (0.59) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL28330480 0.98 TDP1 (0.56) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL27834364 0.98 TDP1 (0.56) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL27565884 0.98 TDP1 (0.62) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL27754178 0.96 TDP1 (0.54) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL28147817 0.95 TDP1 (0.59) TDP1ALDH1A1
Tert-Butyl Formate SCHEMBL17956883 0.93 TDP1 (0.68) TDP1
Tert-Butyl Formate SCHEMBL28055962 0.91 TDP1 (0.59) TDP1
Tert-Butyl Formate SCHEMBL28313627 0.91 TDP1 (0.65) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248949-A Immunoproteasome inhibitor 普林斯匹亚生物制药公司 2019-09-17 CN disclosed