SCHEMBL6602780

SCHEMBL6602780

COc1nn(-c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)c(=O)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.74
LIPC P11150 1/20 0.74
LIPE Q05469 1/20 0.74
FAAH O00519 3/20 0.51
MGLL Q99685 3/20 0.51
ABHD16A O95870 1/20 0.50
NAMPT P43490 2/20 0.46
MLYCD O95822 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL7047919 0.85 LPL (1.00) LPLLIPCLIPEFAAHMGLL
SCHEMBL6601943 0.82 LPL (0.72) LPLLIPCLIPEFAAHMGLL
SCHEMBL7044266 0.81 LPL (0.70) LPLLIPCLIPEFAAHMGLL
SCHEMBL6603718 0.80 LPL (0.69) LPLLIPCLIPEFAAHMGLL
SCHEMBL7044283 0.79 LPL (0.67) LPLLIPCLIPEFAAHMGLL
SCHEMBL6604889 0.78 LPL (0.72) LPLLIPCLIPEFAAHMGLL
Trifluoroacetic Acid SCHEMBL6601568 0.77 LPL (0.47) LPLLIPCLIPEFAAHMGLL
SCHEMBL6603513 0.76 LPL (0.64) LPLLIPCLIPEFAAHMGLL
SCHEMBL6600553 0.75 LPL (0.62) LPLLIPCLIPEFAAHMGLL
SCHEMBL6801256 0.74 NPC1 (0.76) MLYCDALDH1A1MAPTKDM4ERXFP1

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