SCHEMBL17546643

SCHEMBL17546643

CN(CCCCN)C(=O)n1cnc(-c2ccccc2)c1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.81
TRPV1 Q8NER1 2/20 0.41
MGLL Q99685 1/20 0.41
CES2 O00748 1/20 0.40
KIF11 P52732 1/20 0.39
KCNH2 Q12809 1/20 0.39
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
GSK3B P49841 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
KDM4E B2RXH2 1/20 0.36
AOC3 Q16853 1/20 0.36
TLR9 Q9NR96 1/20 0.36
GRIN2B Q13224 1/20 0.35

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
SCHEMBL12414488 0.90 FAAH (0.81) FAAHCES2CSNK2A2CSNK2A1
SCHEMBL2183327 0.90 FAAH (1.00) FAAHTRPV1MGLLCES2KDM4E
SCHEMBL13705789 0.83 FAAH (0.71) FAAHTRPV1MGLLCES2KDM4E
SCHEMBL2184819 0.83 FAAH (0.70) FAAHTRPV1MGLLCES2
SCHEMBL526735 0.82 FAAH (0.65) FAAHCES2KDM4EAOC3GRIN2B
SCHEMBL2181000 0.79 FAAH (0.64) FAAHCES2
SCHEMBL19312030 0.78 FAAH (0.64) FAAHCES2CSNK2A2CSNK2A1
SCHEMBL25081015 0.78 FAAH (0.63) FAAHTRPV1MGLL
SCHEMBL25080940 0.77 FAAH (0.62) FAAHKDM4E
SCHEMBL425371 0.75 FAAH (0.60) FAAHCES2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160139162-A1 Inhibitors Of Fatty Acid Amide Hydrolase And Monoacylglycerol Lipase For Modulation Of Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2016-05-19 US disclosed
US-9271962-B2 Inhibitors of fatty acid amide hydrolase and monoacylglycerol lipase for modulation of cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2016-03-01 US disclosed