SCHEMBL5583421

SCHEMBL5583421

NC(=O)c1ccccc1OCC(O)CN(Cc1ccc(Br)cc1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.43
SLC6A4 P31645 12/20 0.43
SLC6A3 Q01959 2/20 0.42
LMNA P02545 1/20 0.41
ABCB1 P08183 5/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL5583432 0.88 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNAABCB1
SCHEMBL5583474 0.85 TACR1 (0.47) SLC6A2SLC6A4SLC6A3PARP1
SCHEMBL5583494 0.85 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3PARP1
SCHEMBL4509250 0.83 ABCB11 (0.47) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5583296 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5583444 0.79 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNAABCB1
SCHEMBL5583534 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3LMNAABCB1
SCHEMBL7268791 0.75 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5583487 0.71 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL3809629 0.70 ABCB11 (0.60) LMNAABCB1PARP1

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