SCHEMBL1581891

SCHEMBL1581891

O=C(O)N1CCC(CCc2ccc3ccccc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
CYP1A2 P05177 1/20 0.48
DRD4 P21917 3/20 0.46
ACHE P22303 1/20 0.45
SLC13A5 Q86YT5 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
SIGMAR1 Q99720 2/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL1581417 0.92 CYP1A2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1581690 0.86 ACHE (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29453749 0.86 ACHE (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8670678 0.84 MAOA (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1581970 0.81 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8669331 0.81 BCHE (0.51) CYP1A2ACHESLC13A5HRH3SIGMAR1
SCHEMBL28098494 0.79 MAOB (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1581449 0.78 SPR (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15310376 0.78 MAOA (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5453621 0.78 FAAH (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720872-B1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2011-04-20 EP disclosed
EP-1720872-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090347-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed