SCHEMBL5583469

SCHEMBL5583469

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.40
SLC6A4 P31645 13/20 0.40
SLC6A3 Q01959 9/20 0.40
ABCB11 O95342 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 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
SCHEMBL5583363 0.93 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5583317 0.93 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ABCB11SUCNR1
SCHEMBL7264055 0.91 ABCB11 (0.47) SLC6A2SLC6A4SLC6A3ABCB11LMNA
SCHEMBL5583488 0.83 ABCB11 (0.46) SLC6A2SLC6A4SLC6A3ABCB11LMNA
SCHEMBL7268791 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ABCB11LMNA
SCHEMBL5583534 0.77 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL4509250 0.76 ABCB11 (0.47) SLC6A2SLC6A4SLC6A3ABCB11LMNA
SCHEMBL5583430 0.74 ABCB11 (0.48) SLC6A2SLC6A4SLC6A3ABCB11NPC1
SCHEMBL3813421 0.74 ABCB11 (0.68) ABCB11MEN1ALDH1A1LMNAMAPT
SCHEMBL5583444 0.74 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ABCB11LMNA

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