SCHEMBL6590979

SCHEMBL6590979

c1ccc(OCN2CCCC3OCOC32)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
FAAH O00519 2/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
SPHK2 Q9NRA0 2/20 0.34
SPHK1 Q9NYA1 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1751084 0.72 HRH3 (0.40) HRH3CHRNB4CHRNA3SPHK2SPHK1
SCHEMBL27368213 0.71 KDM4E (0.40) HRH3SPHK2SPHK1KDM4EALDH1A1
SCHEMBL13640459 0.67 KMT2A (0.41) TDP1
SCHEMBL15939331 0.64 ALDH1A1 (0.57) TDP1CHRNB4CHRNA3KDM4EALDH1A1
SCHEMBL7111287 0.64 TERT (0.43) FAAHKDM4EALDH1A1
SCHEMBL2300940 0.63 LTA4H (0.53) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL12486958 0.63 LTA4H (0.58) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL3154476 0.61 HRH3 (0.57) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL10516616 0.61 MAPT (0.41) TDP1HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1372851 0.61 HRH3 (0.66) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412350-A1 PAROXETINE ISETHIONATE SALT, PROCESS OF PREPARATION AND USE IN THE TREATMENT OF DEPRESSION Spurcourt Limited (GB) 2004-04-28 EP disclosed
EP-0991408-A4 NOVEL PROCESS FOR MANUFACTURING PAROXETINE SOLID DISPERSIONS ENDO PHARMACEUTICALS INC (US) 2003-07-09 EP disclosed
WO-2003020717-A1 PAROXETINE ISETHIONATE SALT, PROCESS OF PREPARATION AND USE IN THE TREATMENT OF DEPRESSION SPURCOURT LIMITED (GB) 2003-03-13 WO disclosed
EP-1075263-A1 AQUEOUS PROCESS FOR MANUFACTURING PAROXETINE SOLID DISPERSIONS Endo Pharmaceuticals Inc. (US) 2001-02-14 EP disclosed
EP-0991408-A1 NOVEL PROCESS FOR MANUFACTURING PAROXETINE SOLID DISPERSIONS Endo Pharmaceuticals Inc. (US) 2000-04-12 EP disclosed
WO-1999056751-A1 AQUEOUS PROCESS FOR MANUFACTURING PAROXETINE SOLID DISPERSIONS ENDO PHARMACEUTICALS INC. (US) 1999-11-11 WO disclosed
WO-1999000131-A1 NOVEL PROCESS FOR MANUFACTURING PAROXETINE SOLID DISPERSIONS ENDO PHARMACEUTICALS INC. (US) 1999-01-07 WO disclosed