SCHEMBL4583250

SCHEMBL4583250

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.37
HRH2 P25021 2/20 0.32
HRH1 P35367 2/20 0.32
RORC P51449 5/20 0.32
BTK Q06187 2/20 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
SCHEMBL8459614 1.00 REN (0.37) RENHRH2HRH1RORCBTK
SCHEMBL4583247 1.00 REN (0.37) RENHRH2HRH1RORCBTK
SCHEMBL4582503 0.94 REN (0.36) RENHRH2HRH1RORC
SCHEMBL4582508 0.94 REN (0.36) RENHRH2HRH1RORC
SCHEMBL4582446 0.94 REN (0.39) RENRORC
SCHEMBL4582451 0.94 REN (0.39) RENRORC
SCHEMBL4583879 0.93 REN (0.38) RENHRH2HRH1RORC
SCHEMBL4583875 0.93 REN (0.38) RENHRH2HRH1RORC
SCHEMBL4582715 0.91 REN (0.37) RENRORCBTK
SCHEMBL8459711 0.91 REN (0.37) RENRORCBTK

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