SCHEMBL4583879

SCHEMBL4583879

CCc1ccc(Oc2ccc([C@H]3[C@H](O)CN(C(=O)C(N)C(C)C)C[C@@H]3OCc3ccc4c(c3)N(CCCOC)CCO4)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.38
RORC P51449 7/20 0.32
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 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
SCHEMBL4583875 1.00 REN (0.38) RENRORCSLC5A1SLC5A2HRH2
SCHEMBL8459711 0.96 REN (0.37) RENRORC
SCHEMBL4582715 0.96 REN (0.37) RENRORC
SCHEMBL4582451 0.95 REN (0.39) RENRORC
SCHEMBL4582446 0.95 REN (0.39) RENRORC
SCHEMBL4582501 0.93 REN (0.37) RENRORCHRH2HRH1
SCHEMBL8471522 0.93 REN (0.37) RENRORCHRH2HRH1
SCHEMBL4582496 0.93 REN (0.37) RENRORCHRH2HRH1
SCHEMBL4583250 0.93 REN (0.37) RENRORCHRH2HRH1
SCHEMBL8459614 0.93 REN (0.37) RENRORCHRH2HRH1

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 4 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
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed