SCHEMBL6264501

SCHEMBL6264501

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.74
GRIN2A Q12879 6/20 0.74
GRIN2D O15399 5/20 0.74
GRIN2C Q14957 5/20 0.74
GRIN2B Q13224 4/20 0.74
OPRM1 P35372 4/20 0.74
KCNH2 Q12809 3/20 0.74
DRD3 P35462 3/20 0.74
DRD4 P21917 2/20 0.74
CACNA1F O60840 1/20 0.74
ABCB1 P08183 1/20 0.74
CYP2B6 P20813 1/20 0.74
OPRD1 P41143 1/20 0.74
OPRK1 P41145 1/20 0.74
CACNA1D Q01668 1/20 0.74
CACNA1S Q13698 1/20 0.74
CACNA1C Q13936 1/20 0.74
MRGPRX2 Q96LB1 1/20 0.74
DRD2 P14416 1/20 0.45
CYP2D6 P10635 3/20 0.43

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
SCHEMBL11422970 0.90 GRIN1 (0.74) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL22313203 0.90 GRIN1 (0.74) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
Aminopentamide Sulfate SCHEMBL251458 0.87 GRIN1 (0.75) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL22313165 0.87 GRIN1 (0.70) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
Esmethadone SCHEMBL24294 0.85 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
Levomethadone SCHEMBL147864 0.85 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL22312271 0.85 GRIN1 (0.68) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
Methadone SCHEMBL17008675 0.85 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
Methadone SCHEMBL34140 0.85 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
Levomethadone SCHEMBL8506268 0.85 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B

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
WO-2005090987-A1 PROCEDURE FOR MANUFACTURE OF STRIPS FOR LATERAL FLOW IMMUNOCHROMATOGRAPHIC DEVICES COZART BIOSCIENCE LIMITED (GB) 2005-09-29 WO disclosed
EP-0931062-B1 CONJUGATES AND SPECIFIC IMMUNOASSAYS FOR THE METHADONE METABOLITE 2-ETHYLIDINE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE MICROGENICS CORP (US) 2004-11-17 EP disclosed
US-6140137-A METABOLITE LINKED TO POLYPEPTIDE FOR ANALYSIS AND ANTIBODY PRODUCTION; MONITORING COMPLIANCE WITH METHADONE TREATMENT MICROGENICS CORPORATION (US) 2000-10-31 US disclosed
EP-0931062-A1 CONJUGATES AND SPECIFIC IMMUNOASSAYS FOR THE METHADONE METABOLITE 2-ETHYLIDINE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE MICROGENICS CORPORATION (US) 1999-07-28 EP disclosed
WO-1998054133-A1 CONJUGATES AND SPECIFIC IMMUNOASSAYS FOR THE METHADONE METABOLITE 2-ETHYLIDINE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE MICROGENICS CORPORATION (US) 1998-12-03 WO disclosed
US-4096138-A CROSSLINKING WATER-SOLUBLE MACROMOLECULE SCHERR, GEORGE H. 1978-06-20 US disclosed