SCHEMBL8199787

SCHEMBL8199787

CNCCOc1noc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.64
MGLL Q99685 1/20 0.64
HTR1B P28222 4/20 0.46
HTR1D P28221 2/20 0.46
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ACHE P22303 1/20 0.42
SSTR4 P31391 1/20 0.42
SLC6A4 P31645 2/20 0.42
HRH1 P35367 1/20 0.42
KCNA5 P22460 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HIF1A Q16665 4/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL13481197 0.82 FAAH (0.79) FAAHMGLLACHESSTR4KCNA5
SCHEMBL5331706 0.79 FAAH (0.65) FAAHMGLLACHESSTR4KCNA5
SCHEMBL5618341 0.79 FAAH (0.65) FAAHMGLLHTR1BACHESSTR4
SCHEMBL8373116 0.78 FAAH (0.69) FAAHMGLLACHESSTR4KCNA5
SCHEMBL8259179 0.78 FAAH (0.64) FAAHMGLLHTR1BACHESSTR4
Hydrochloric Acid SCHEMBL6998346 0.78 FAAH (0.63) FAAHMGLLHTR1BACHESSTR4
SCHEMBL6988458 0.76 FAAH (0.51) FAAHMGLLSSTR4CA12CA1
Hydrochloric Acid SCHEMBL6988640 0.76 FAAH (0.66) FAAHMGLLHTR1BACHESSTR4
SCHEMBL6992057 0.76 FAAH (0.53) FAAHMGLLSSTR4CA12CA1
Hydrochloric Acid SCHEMBL6995743 0.75 FAAH (0.68) FAAHMGLLHTR1BACHESSTR4

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
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed