SCHEMBL8471635

SCHEMBL8471635

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.36
RORC P51449 6/20 0.32
THRB P10828 3/20 0.32
SLC6A4 P31645 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
PIK3CD O00329 3/20 0.31
PIK3CA P42336 3/20 0.31
TP53 P04637 1/20 0.30
KMT2A Q03164 1/20 0.30
HRH2 P25021 2/20 0.30
HRH1 P35367 2/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL8460098 0.94 REN (0.38) RENRORCHRH2HRH1
SCHEMBL4582501 0.92 REN (0.37) RENRORCTHRBSLC6A4HRH3
SCHEMBL8471522 0.92 REN (0.37) RENRORCTHRBSLC6A4HRH3
SCHEMBL4582496 0.92 REN (0.37) RENRORCTHRBSLC6A4HRH3
SCHEMBL8471475 0.90 REN (0.37) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL8468981 0.89 REN (0.33) RENSLC6A4HRH3CYP3A4CYP2D6
SCHEMBL8458766 0.89 REN (0.43) RENCYP3A4
SCHEMBL4582751 0.87 REN (0.36) RENRORCSLC6A4HRH3PIK3CD
SCHEMBL4582750 0.87 REN (0.36) RENRORCSLC6A4HRH3PIK3CD
SCHEMBL8469312 0.87 REN (0.36) RENRORCTHRBSLC6A4HRH3

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-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