SCHEMBL1581970

SCHEMBL1581970

O=C(O)N1CCC(CCc2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
PARP14 Q460N5 1/20 0.46
SPR P35270 1/20 0.46
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
BCHE P06276 1/20 0.43
FAAH O00519 1/20 0.43
JAK1 P23458 1/20 0.43
TACR3 P29371 1/20 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
SCHEMBL1581171 0.92 OPRK1 (0.48) FAAHTACR3
SCHEMBL8670678 0.87 MAOA (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1532820 0.84 KDM4E (0.55) JAK1
SCHEMBL1581449 0.84 SPR (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15310376 0.84 MAOA (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15310414 0.82 PARP14 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1581936 0.82 MAOB (0.61) MAOBFAAH
SCHEMBL1581891 0.81 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15310317 0.81 MGLL (0.55) MAOBMAOAFAAH
SCHEMBL5453555 0.80 FAAH (0.66) GRIN2BPARP14MAOBBCHEFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607362-A1 Piperidine and piperazine carboxylates as FAAH inhibitors Astellas Pharma Inc. (JP) 2013-06-26 EP disclosed
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