SCHEMBL8469259

SCHEMBL8469259

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)[C@H](C)N)CC[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.36
THRB P10828 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.34
PIK3CA P42336 4/20 0.34
PIK3CD O00329 3/20 0.34
RORC P51449 4/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SLC6A4 P31645 1/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
TP53 P04637 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
SCHEMBL8469312 0.95 REN (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL8468829 0.93 THRB (0.35) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL8468849 0.93 REN (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL4582049 0.88 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL4582051 0.88 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL14218863 0.88 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL8469161 0.87 THRB (0.34) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3903004 0.84 REN (0.40) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL4582501 0.83 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL4582496 0.83 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6

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
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed