SCHEMBL5799248

SCHEMBL5799248

NN(Cc1ccccc1)C(CCCCCN=C=O)N=C=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NAAA Q02083 3/20 0.36
MIF P14174 3/20 0.36
AOC3 Q16853 1/20 0.33
CA2 P00918 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8434594 0.72 NAAA (0.33) MAOAMAOBNAAAMIFKEAP1
SCHEMBL688821 0.72 KEAP1 (0.39) MAOAMAOBNAAAMIFKEAP1
SCHEMBL602608 0.72 NR4A2 (0.31) MAOAMAOB
Benzylamine SCHEMBL688822 0.72 LOXL2 (0.52) MAOAMAOBNAAAMIFKEAP1
Diphenylmethane SCHEMBL28176599 0.71 MIF (0.50) MAOAMAOBNAAAMIFKEAP1
SCHEMBL11802125 0.71 MAOB (0.54) MAOAMAOBNAAAMIF
Benzylamine SCHEMBL7198941 0.70 CYP1A2 (0.37) MAOAMAOBNAAAMIFKEAP1
SCHEMBL4332687 0.70 NAAA (0.68) MAOAMAOBNAAAMIF
SCHEMBL380832 0.70 NAAA (0.68) MAOAMAOBNAAAMIF
SCHEMBL1006435 0.70 NAAA (0.68) MAOAMAOBNAAAMIF

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-1641888-A1 AMINO ACID DERIVATIVES AND THEIR USE AS A SAG CONTROL AGENT Nuplex Resins B.V. (NL) 2006-04-05 EP disclosed
WO-2005005558-A1 AMINO ACID DERIVATIVES AND THEIR USE AS A SAG CONTROL AGENT NUPLEX RESINS B.V. (NL) 2005-01-20 WO disclosed