SCHEMBL8468849

SCHEMBL8468849

CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](c2ccc(OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.36
THRB P10828 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
DPP4 P27487 6/20 0.33
DPP7 Q9UHL4 4/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
RORC P51449 3/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8469259 0.93 REN (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL8468829 0.90 THRB (0.35) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL4583863 0.89 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL8469161 0.84 THRB (0.34) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL4583458 0.84 REN (0.32) REN
SCHEMBL4584015 0.83 REN (0.36) RENRORC
SCHEMBL4584012 0.83 REN (0.36) RENRORC
SCHEMBL4582715 0.83 REN (0.37) RENDPP4RORC
SCHEMBL8459711 0.83 REN (0.37) RENDPP4RORC

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