SCHEMBL8629045

SCHEMBL8629045

Cn1c(=O)oc2cc(C(=O)CN3CCOCC3)cnc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.40
APP P05067 1/20 0.40
PDE5A O76074 3/20 0.39
PDE6C P51160 1/20 0.37
POLB P06746 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL8919157 0.87 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL8919693 0.85 POLB (0.46) ALDH1A1MAPTMEN1KMT2AAPP
SCHEMBL8918109 0.83 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1HTT
SCHEMBL8919271 0.83 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1KMT2AAPP
SCHEMBL8920278 0.80 MEN1 (0.51) ALDH1A1MAPK1HRH3MEN1KMT2A
SCHEMBL8917897 0.80 SIGMAR1 (0.42) ALDH1A1MAPK1SIGMAR1
SCHEMBL8625701 0.79 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHSD17B10POLB
SCHEMBL8917938 0.78 PDE1B (0.43) ALDH1A1HRH3MEN1KMT2AHTT
SCHEMBL8918611 0.77 SIGMAR1 (0.41) ALDH1A1SIGMAR1
SCHEMBL8919198 0.77 POLB (0.47) ALDH1A1MAPTHSD17B10POLB

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
US-5767128-A ANALGESICS ADIR ET COMPAGNIE (FR) 1998-06-16 US disclosed
US-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed
EP-0691339-A1 Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed