SCHEMBL7300486

SCHEMBL7300486

COc1ccccc1N1CC(CN2CCC(c3ccc4c(c3)OCO4)CC2)OC1=O

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.73
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
POLB P06746 1/20 0.45
ACHE P22303 2/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
KCNH2 Q12809 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL7293138 0.91 SIGMAR1 (0.61) SIGMAR1POLBACHEADRA1DADRA1A
SCHEMBL7299535 0.89 SIGMAR1 (0.69) SIGMAR1
SCHEMBL7291135 0.86 SIGMAR1 (0.80) SIGMAR1ACHEKCNH2
SCHEMBL7299801 0.85 SIGMAR1 (0.78) SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL7298506 0.85 SIGMAR1 (0.83) SIGMAR1
SCHEMBL7300307 0.84 SIGMAR1 (1.00) SIGMAR1
SCHEMBL7291034 0.81 SIGMAR1 (0.75) SIGMAR1
SCHEMBL7291389 0.81 SIGMAR1 (0.78) SIGMAR1
SCHEMBL7298734 0.80 SIGMAR1 (0.57) SIGMAR1KCNH2GAA
SCHEMBL7298880 0.79 SIGMAR1 (0.78) SIGMAR1

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-0459256-B1 Oxazolidinones with CNS-depressant activity MERCK PATENT GMBH (DE) 1995-07-12 EP disclosed
US-5232931-A OXAZOLIDINONES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0459256-A1 Oxazolidinones with CNS-depressant activity MERCK PATENT GmbH (DE) 1991-12-04 EP disclosed