SCHEMBL2934111

SCHEMBL2934111

CCOP(=O)(O)C(Cc1ccccc1)N1CCNCCN(C(Cc2ccccc2)P(=O)(O)OCC)CCN(C(Cc2ccccc2)P(=O)(O)OCC)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.46
SLC6A2 P23975 10/20 0.46
SLC6A3 Q01959 3/20 0.44
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1D Q01668 2/20 0.40
KCNH2 Q12809 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
LAP3 P28838 1/20 0.40
OPRD1 P41143 4/20 0.40
OPRM1 P35372 2/20 0.40
OPRK1 P41145 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
SCHEMBL7421127 0.83 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL8928325 0.74 LAP3 (0.53) CYP3A4CYP2D6LAP3
SCHEMBL9309772 0.72 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL10979801 0.72 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL4074290 0.71 IDO1 (0.43) CYP3A4CYP2D6LAP3KMT2A
SCHEMBL10714489 0.71 LAP3 (0.51) LAP3
SCHEMBL12876206 0.69 LAP3 (0.49) LAP3
SCHEMBL12847565 0.68 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL9665263 0.68 LAP3 (0.48) LAP3
SCHEMBL9667088 0.68 LAP3 (0.48) LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501398-B2 Luminescence assay using macrocyclic lanthanide (III) complexes UNIVERSITY OF DURHAM (GB) 2013-08-06 US disclosed
EP-2041571-B1 LUMINESCENCE ASSAY USING MACROCYCLIC LANTHANIDE (III) COMPLEXES UNIV DURHAM (GB) 2010-09-15 EP disclosed
US-20100055665-A1 LUMINESCENCE ASSAY USING MACROCYCLIC LANTHANIDE (III) COMPLEXES UNIVERSITY OF DURHAM (GB) 2010-03-04 US disclosed
EP-2041571-A1 LUMINEESCENCE ASSAY USING MACROCYCLIC LANTHANIDE ( III ) COMPLEXES UNIVERSITY OF DURHAM (GB) 2009-04-01 EP disclosed
WO-2008007089-A1 LUMINEESCENCE ASSAY USING MACROCYCLIC LANTHANIDE ( III ) COMPLEXES UNIVERSITY OF DURHAM (GB) 2008-01-17 WO disclosed