SCHEMBL6965784

SCHEMBL6965784

NCC(Oc1ccccn1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.45
SLC6A2 P23975 3/20 0.43
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
HTR2A P28223 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
SCN5A Q14524 3/20 0.39
KCNH2 Q12809 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 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
SCHEMBL19668458 1.00 NOS2 (0.45) NOS2SLC6A2GRIN2DGRIN3BGRIN1
SCHEMBL19668710 0.80 NOS2 (0.43) NOS2SLC6A2CHRNB2CHRNA4SCN5A
SCHEMBL28340863 0.77 ALDH1A1 (0.40) SLC6A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11222940 0.76 SLC6A4 (0.63) SLC6A2HTR2AKCNH2SLC6A4SLC6A3
SCHEMBL27650890 0.76 KCNA5 (0.40) SLC6A2KCNH2SLC6A4SLC6A3ALDH1A1
SCHEMBL11236550 0.76 SLC6A4 (0.56) SLC6A2HTR2AKCNH2SLC6A4SLC6A3
SCHEMBL19668463 0.76 SLC6A4 (0.46) NOS2SLC6A2HTR2AKCNH2SLC6A4
SCHEMBL28626450 0.76 SLC6A2 (0.45) SLC6A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15140316 0.75 DYRK1A (0.43) NOS2TAAR1KCNH2ALDH1A1CYP1A2
SCHEMBL19668509 0.74 SLC6A2 (0.51) NOS2SLC6A2HTR2ASCN5AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0075752-B1 SUBSTITUTED 2-PHENYL-2-(PYRIDYLOXY)-ETHYL AMINES AND ISOSTERIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE BOEHRINGER INGELHEIM KG (DE) 1986-03-12 EP claimed
EP-0075752-A2 Substituted 2-phenyl-2-(pyridyloxy)-ethyl amines and isosteric compounds, process for their preparation and use BOEHRINGER INGELHEIM KG (DE) 1983-04-06 EP claimed
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed
EP-0075752-B1 SUBSTITUTED 2-PHENYL-2-(PYRIDYLOXY)-ETHYL AMINES AND ISOSTERIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE BOEHRINGER INGELHEIM KG (DE) 1986-03-12 EP disclosed
EP-0075752-B1 SUBSTITUTED 2-PHENYL-2-(PYRIDYLOXY)-ETHYL AMINES AND ISOSTERIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE BOEHRINGER INGELHEIM KG (DE) 1986-03-12 EP disclosed
EP-0075752-A2 Substituted 2-phenyl-2-(pyridyloxy)-ethyl amines and isosteric compounds, process for their preparation and use BOEHRINGER INGELHEIM KG (DE) 1983-04-06 EP disclosed
EP-0075752-A2 Substituted 2-phenyl-2-(pyridyloxy)-ethyl amines and isosteric compounds, process for their preparation and use BOEHRINGER INGELHEIM KG (DE) 1983-04-06 EP disclosed
EP-0075752-A2 Substituted 2-phenyl-2-(pyridyloxy)-ethyl amines and isosteric compounds, process for their preparation and use BOEHRINGER INGELHEIM KG (DE) 1983-04-06 EP disclosed