SCHEMBL5178345

SCHEMBL5178345

CC(=O)Nc1nc(CCc2ccc(CN3CCC(OC(N)=O)C3)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.56
MAOB P27338 3/20 0.54
ADRA2B P18089 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MCHR1 Q99705 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44

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
SCHEMBL14281004 0.86 AOC3 (0.61) AOC3MAOBADRA2BSLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4888620 0.85 AOC3 (0.60) AOC3MAOBADRA2BSLC6A4SLC6A3
SCHEMBL4890441 0.81 AOC3 (0.58) AOC3MAOBADRA2BSLC6A4SLC6A3
SCHEMBL16653828 0.79 MCHR1 (0.58) MAOBMCHR1SIRT1
SCHEMBL14281006 0.78 AOC3 (0.61) AOC3MAOBADRA2BSLC6A4SLC6A3
SCHEMBL4880224 0.78 AOC3 (0.63) AOC3MAOB
Hydrochloric Acid SCHEMBL4880230 0.77 AOC3 (0.60) AOC3MAOBADRA2BSLC6A4SLC6A3
SCHEMBL4885619 0.77 AOC3 (0.61) AOC3MAOB
SCHEMBL4890223 0.76 AOC3 (0.55) AOC3MAOB
SCHEMBL6387644 0.75 AOC3 (0.72) AOC3MAOB

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
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 WO disclosed