SCHEMBL8459461

SCHEMBL8459461

COCCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)CCO4)CN(C(=O)C(N)CC(C)C)C[C@H]2OC[C@@H](C)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.35
HRH1 P35367 4/20 0.35
REN P00797 3/20 0.35
RORC P51449 8/20 0.32
CACNA1B Q00975 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
SCHEMBL4582658 1.00 HRH2 (0.35) HRH2HRH1RENRORCCACNA1B
SCHEMBL4582662 1.00 HRH2 (0.35) HRH2HRH1RENRORCCACNA1B
SCHEMBL4583243 0.94 REN (0.36) HRH2HRH1RENRORC
SCHEMBL4583244 0.94 REN (0.36) HRH2HRH1RENRORC
SCHEMBL4582750 0.93 REN (0.36) HRH2HRH1RENRORC
SCHEMBL4582751 0.93 REN (0.36) HRH2HRH1RENRORC
SCHEMBL4583360 0.92 REN (0.35) RENRORC
SCHEMBL4583363 0.92 REN (0.35) RENRORC
SCHEMBL4584012 0.91 REN (0.36) HRH2HRH1RENRORC
SCHEMBL4584015 0.91 REN (0.36) HRH2HRH1RENRORC

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