SCHEMBL5583317

SCHEMBL5583317

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.40
SLC6A4 P31645 10/20 0.40
SLC6A3 Q01959 6/20 0.40
CCR1 P32246 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
SUCNR1 Q9BXA5 2/20 0.40
SSTR3 P32745 2/20 0.39
ABCB11 O95342 1/20 0.38
TOP2A P11388 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 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 0.89 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL5583534 0.84 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL7264055 0.83 ABCB11 (0.47) SLC6A2SLC6A4SLC6A3CCR1ABCB11
SCHEMBL5583515 0.80 LMNA (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL5583488 0.79 ABCB11 (0.46) SLC6A2SLC6A4SLC6A3CCR1ABCB11
SCHEMBL7268791 0.78 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CCR1ABCB11
SCHEMBL4509250 0.77 ABCB11 (0.47) SLC6A2SLC6A4SLC6A3ABCB11
SCHEMBL5583444 0.74 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ABCB11
SCHEMBL3809661 0.73 ABCB11 (0.68) CCR1HRH1CCR3ABCB11KDM4E
SCHEMBL5583417 0.73 ABCB11 (0.48) SLC6A2SLC6A4SLC6A3CCR1ABCB11

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