SCHEMBL6599576

SCHEMBL6599576

COc1nn(-c2ccc(NCC3CCCCC3)cc2)c(=O)o1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.54
MGLL Q99685 4/20 0.50
FAAH O00519 3/20 0.50
LPL P06858 1/20 0.49
LIPC P11150 1/20 0.49
LIPE Q05469 1/20 0.49
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH3A1 P30838 1/20 0.35
KHK P50053 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL6599090 0.75 ABHD16A (0.62) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL6603229 0.73 ABHD16A (0.52) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL2233598 0.71 ABHD16A (0.72) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL6601929 0.71 ABHD16A (0.50) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL15325738 0.71 ACHE (0.58) ACHEBACE1ALDH1A1GFERKMT2A
SCHEMBL11620781 0.71 FAAH (0.78) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL6600012 0.70 MGLL (0.51) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL7040759 0.70 ABHD16A (0.58) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL12204742 0.69 ACHE (0.59) ACHEBACE1ALDH1A1KDM4EGFER
SCHEMBL7578034 0.69 ABHD16A (0.68) ABHD16AMGLLFAAHLPLLIPC

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-1263745-B1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE AVENTIS PHARMA GMBH (DE) 2004-05-19 EP disclosed