SCHEMBL7413609

SCHEMBL7413609

Cc1ncc(OCc2ccccc2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
MAOB P27338 6/20 0.50
P4HTM Q9NXG6 1/20 0.45
ALOX5 P09917 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
ALKBH1 Q13686 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
RHEB Q15382 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL8528024 0.81 PDGFRB (0.48) PDGFRBPDGFRAMAOBP4HTMALOX5
SCHEMBL8518564 0.81 PDGFRB (0.50) PDGFRBPDGFRAMAOBP4HTMALOX5
SCHEMBL4658609 0.81 MAOB (0.50) PDGFRBPDGFRAMAOBP4HTM
SCHEMBL1330323 0.81 MAOB (0.50) PDGFRBPDGFRAMAOBP4HTMALOX5
SCHEMBL14676863 0.81 PDGFRB (0.50) PDGFRBPDGFRAMAOBP4HTMALOX5
SCHEMBL7409633 0.81 MAOB (0.50) PDGFRBPDGFRAMAOBP4HTMALOX5
SCHEMBL19691724 0.78 PDGFRB (0.51) PDGFRBPDGFRAMAOBP4HTMALOX5
SCHEMBL19783560 0.78 PDGFRB (0.58) PDGFRBPDGFRAMAOBP4HTMALOX5
SCHEMBL30189771 0.78 PDGFRB (0.58) PDGFRBPDGFRAMAOBP4HTMALOX5
SCHEMBL20607705 0.77 P4HTM (0.56) PDGFRBPDGFRAMAOBP4HTMALKBH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846114-B1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-12-05 EP disclosed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP disclosed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO disclosed