SCHEMBL4582049

SCHEMBL4582049

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.37
RORC P51449 5/20 0.33
THRB P10828 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
PIK3CD O00329 3/20 0.31
PIK3CA P42336 3/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH2 P25021 2/20 0.31
HRH1 P35367 2/20 0.31

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
SCHEMBL14218863 1.00 REN (0.37) RENRORCTHRBHRH3SLC6A4
SCHEMBL4582051 1.00 REN (0.37) RENRORCTHRBHRH3SLC6A4
SCHEMBL4582496 0.95 REN (0.37) RENRORCTHRBHRH3SLC6A4
SCHEMBL8471522 0.95 REN (0.37) RENRORCTHRBHRH3SLC6A4
SCHEMBL4582501 0.95 REN (0.37) RENRORCTHRBHRH3SLC6A4
SCHEMBL4582508 0.93 REN (0.36) RENRORCTHRBHRH3SLC6A4
SCHEMBL4582446 0.93 REN (0.39) RENRORC
SCHEMBL4582451 0.93 REN (0.39) RENRORC
SCHEMBL4582503 0.93 REN (0.36) RENRORCTHRBHRH3SLC6A4
SCHEMBL4583863 0.93 REN (0.37) RENRORCTHRBHRH3SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed