SCHEMBL7464617

SCHEMBL7464617

CC(C)(C)OC(=O)C(Oc1cnc(Cl)c(C(=O)c2ccccc2)c1)[C@@H]1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.39
SLC6A4 P31645 18/20 0.39
SLC6A3 Q01959 18/20 0.39
CYP2D6 P10635 4/20 0.39

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
SCHEMBL7464580 1.00 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7467813 0.83 CHRNB2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7457630 0.82 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7463371 0.82 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7464221 0.81 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7460391 0.81 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7470546 0.81 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7458106 0.81 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7466435 0.80 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7464583 0.79 CHRNA3 (0.37) SLC6A2SLC6A4SLC6A3

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-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 EP disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 WO disclosed