SCHEMBL4789084

SCHEMBL4789084

Cc1ccc(CN2CC(C)OC(C)C2)c2c1CC[C@@H](N)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
HTT P42858 1/20 0.44
CYP2A13 Q16696 1/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
ADRA1A P35348 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SLC2A1 P11166 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
SCHEMBL4786908 0.79 NR1H2 (0.39) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL4786769 0.74 KDM4E (0.46) KDM4ETDP1HTTKMT2AMEN1
SCHEMBL4788901 0.74 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1
SCHEMBL17724355 0.64 CYP2A13 (0.58) KDM4ETDP1HTTCYP2A13KMT2A
SCHEMBL4787954 0.64 MEN1 (0.39) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL4213722 0.63 ADRA1A (0.40) KDM4EHTTALDH1A1GAAADRA1A
SCHEMBL6819440 0.63 ADRA1A (0.40) KDM4EHTTALDH1A1GAAADRA1A
SCHEMBL7238644 0.62 ADRB1 (0.44) ADRA1A
SCHEMBL7238635 0.62 ADRB1 (0.44) ADRA1A
SCHEMBL29605223 0.62 ADRA1A (0.52) ALDH1A1ADRA1A

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
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed