SCHEMBL5236952

SCHEMBL5236952

CNC1(C(C)=O)CN(c2ccc(-c3ccccc3OC)cn2)CCCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.46
HDAC6 Q9UBN7 1/20 0.37
NPY5R Q15761 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CG P48736 1/20 0.36
PDE10A Q9Y233 5/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ZAP70 P43403 1/20 0.35
FAAH O00519 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL5238842 0.86 EGLN1 (0.43) EGLN1KMT2AMCHR1CNR1
SCHEMBL5236962 0.82 EGLN1 (0.45) EGLN1NPY5RPDE10AAAK1ITGA4
SCHEMBL5234753 0.82 DGAT1 (0.41) EGLN1RAB9AKCNH2MCHR1CNR1
SCHEMBL5237002 0.81 DGAT1 (0.41) KCNH2MCHR1CNR1CNR2
SCHEMBL5237578 0.80 KDM4E (0.43) KMT2AKCNH2CNR2
SCHEMBL5233791 0.80 PANK3 (0.41) NPC1RAB9AKMT2A
SCHEMBL5236765 0.79 CACNA1G (0.39) MCHR1
SCHEMBL5233010 0.78 MGLL (0.44) KCNH2
SCHEMBL5236322 0.76 EGLN1 (0.54) EGLN1PDE10AKMT2AKCNH2CNR1
SCHEMBL5237336 0.76 EGLN1 (0.54) EGLN1NPC1RAB9AKMT2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed