SCHEMBL5583363

SCHEMBL5583363

O=C(Nc1ccccc1OCC(O)CN(Cc1ccc(F)c(F)c1)C1CCNCC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.41
SLC6A4 P31645 13/20 0.41
SLC6A3 Q01959 9/20 0.41
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL5583488 0.90 ABCB11 (0.46) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5583317 0.89 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL7264055 0.83 ABCB11 (0.47) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL7268791 0.81 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL4509250 0.77 ABCB11 (0.47) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5583296 0.75 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL3809593 0.73 ABCB11 (0.66) LMNA
SCHEMBL5583496 0.73 ABCB11 (0.46) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5583444 0.72 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5583494 0.72 SLC6A2 (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4022142-B2 2007-12-12 JP claimed
JP-2004507461-A 2004-03-11 JP claimed
EP-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP claimed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 WO claimed
EP-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 WO disclosed