SCHEMBL2822867

SCHEMBL2822867

O=C(O)CCC(=O)C12CCCN(CC1)C2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
LMNA P02545 2/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC15A2 Q16348 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
SCHEMBL9136497 0.86 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9048771 0.79 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3
SCHEMBL31731969 0.77 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3
SCHEMBL205297 0.77 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL8558853 0.77 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL2421629 0.76 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3
SCHEMBL8557075 0.76 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3
SCHEMBL3951763 0.73 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9379693 0.73 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3
SCHEMBL205952 0.72 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3

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-1922320-B1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-27 EP disclosed
EP-1922320-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2008-05-21 EP disclosed
WO-2007020343-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-22 WO disclosed