SCHEMBL29024656

SCHEMBL29024656

CC(C)(C)ON(C=O)[C@H]1CCCNC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.32
ADH1C P00326 3/20 0.32
SLC6A1 P30531 2/20 0.30
SLC6A11 P48066 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC6A13 Q9NSD5 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
SCHEMBL28177299 1.00 ADH1A (0.32) ADH1AADH1CSLC6A1SLC6A11TSHR
SCHEMBL28178187 1.00 ADH1A (0.32) ADH1AADH1CSLC6A1SLC6A11TSHR
SCHEMBL1851488 0.90 SLC6A4 (0.33)
SCHEMBL6221301 0.90 SLC6A4 (0.33)
SCHEMBL2447410 0.90 SLC6A4 (0.33)
SCHEMBL335952 0.80
SCHEMBL8131778 0.75
Tert-Butyl Formate SCHEMBL28820107 0.73 TDP1 (0.41) ADH1AADH1C
Tert-Butyl Formate SCHEMBL28820106 0.73 TDP1 (0.41) ADH1AADH1C
SCHEMBL5663141 0.72 ADH1A (0.32) ADH1AADH1C

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-116354862-A Substituted azacyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed