SCHEMBL8656990

SCHEMBL8656990

CCOC(=O)/C=C/C=C/C(CC(C)N(C)C)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.48
GRIN2A Q12879 6/20 0.48
GRIN2D O15399 5/20 0.48
GRIN2C Q14957 5/20 0.48
GRIN2B Q13224 4/20 0.48
OPRM1 P35372 2/20 0.48
KCNH2 Q12809 2/20 0.48
CACNA1F O60840 1/20 0.48
ABCB1 P08183 1/20 0.48
CYP2B6 P20813 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
MRGPRX2 Q96LB1 1/20 0.48
MAPT P10636 3/20 0.39
MDM4 O15151 1/20 0.39

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
SCHEMBL8656991 1.00 GRIN1 (0.48) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL8660445 0.79 GRIN1 (0.50) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL8660443 0.79 GRIN1 (0.50) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL8659872 0.76 GRIN1 (0.58) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL8659875 0.76 GRIN1 (0.58) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL8660746 0.73 GRIN1 (0.54) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL7826311 0.69 MAPT (0.42) MAPTMDM4LMNAMDM2
SCHEMBL7826308 0.69 MAPT (0.42) MAPTMDM4LMNAMDM2
SCHEMBL2003283 0.68 MAPT (0.48) MAPTMDM4LMNAMDM2
SCHEMBL8481696 0.68 MAPT (0.47) MAPTMDM4LMNAMDM2

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
EP-0875762-A2 Immunogens for raising antibodies useful in methadone fluorescence polarization immunoassay Abbott Laboratories (US) 1998-11-04 EP disclosed
EP-0380019-B1 Methadone fluorescence polarization immunoassay ABBOTT LAB (US) 1995-11-08 EP disclosed
EP-0662613-A1 Immunogens for raising antibodies useful in methadone fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1995-07-12 EP disclosed
US-5073629-A Haptens attached to immunogenic carrier; quantitative analysis , drugs testing ABBOTT LABORATORIES (US) 1991-12-17 US disclosed
EP-0380019-A2 Methadone fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1990-08-01 EP disclosed