SCHEMBL6434771

SCHEMBL6434771

O=C1CCCNCC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
ALDH1A1 P00352 1/20 0.35
OR51E2 Q9H255 1/20 0.35
PNMT P11086 1/20 0.31
MEN1 O00255 1/20 0.30
GABRA1 P14867 1/20 0.30
CYP2C19 P33261 1/20 0.30
GABRB2 P47870 1/20 0.30
KMT2A Q03164 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
SCHEMBL28691515 0.91 TRIM24 (0.43) TRIM24TRIM33ALDH1A1
SCHEMBL4301704 0.87
SCHEMBL135486 0.87
Bromide SCHEMBL3745032 0.84
Fluoride SCHEMBL29139488 0.84
Ammonia Solution, Strong SCHEMBL9865401 0.84
Hydrochloric Acid SCHEMBL1812271 0.84
Iodide SCHEMBL29139517 0.84
Hydrochloric Acid SCHEMBL23199269 0.82
SCHEMBL14790890 0.82 TRIM24 (0.45) TRIM24TRIM33ALDH1A1OR51E2PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554285-A1 CHEMICAL INTERMEDIATE AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004035592-A1 CHEMICAL INTERMEDIATE ASTRAZENECA AB (SE) 2004-04-29 WO disclosed