SCHEMBL8069642

SCHEMBL8069642

CC(C)(C)OC(=O)N(CCc1ccc(O)cc1)[C@H](CCCN)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
SLC6A2 P23975 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR3A P46098 1/20 0.34
BACE1 P56817 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LNPEP Q9UIQ6 2/20 0.34
ERAP2 Q6P179 1/20 0.34
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
ESR1 P03372 1/20 0.33
CYP19A1 P11511 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL9195869 0.91 ESRRG (0.38) ESRRGKDM4EL3MBTL1ALDH1A1HTR1A
SCHEMBL8068255 0.81 TPSAB1 (0.46)
SCHEMBL8125342 0.80 F2 (0.37) ESRRG
SCHEMBL7600195 0.77 AAK1 (0.32) AAK1
SCHEMBL8058896 0.76 NPY1R (0.40) KDM4EESR1CYP19A1ESR2
SCHEMBL8073042 0.73 TPSAB1 (0.44) L3MBTL1ALDH1A1TAAR1KMT2A
SCHEMBL29061466 0.73 CPB2 (0.30)
SCHEMBL3015417 0.71 ESRRG (0.56) ESRRGKDM4EL3MBTL1BLMKMT2A
SCHEMBL7473461 0.71 ESRRG (0.44) ESRRGKDM4EL3MBTL1BLM
SCHEMBL9200920 0.70 EPOR (0.48) L3MBTL1ALDH1A1EPOR

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-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed