SCHEMBL14219030

SCHEMBL14219030

CCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)[C@H](C)N)C[C@@H](O)[C@@H]3c3ccc(Oc4ccc(CC)cc4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.34
EDNRB P24530 2/20 0.32
REN P00797 1/20 0.31
HRH2 P25021 1/20 0.30
HRH1 P35367 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
SCHEMBL4582446 0.94 REN (0.39) RORCREN
SCHEMBL4582451 0.94 REN (0.39) RORCREN
SCHEMBL4583875 0.89 REN (0.38) RORCRENHRH2HRH1
SCHEMBL4583879 0.89 REN (0.38) RORCRENHRH2HRH1
SCHEMBL4583250 0.88 REN (0.37) RORCRENHRH2HRH1
SCHEMBL4582715 0.88 REN (0.37) RORCREN
SCHEMBL8459614 0.88 REN (0.37) RORCRENHRH2HRH1
SCHEMBL4583247 0.88 REN (0.37) RORCRENHRH2HRH1
SCHEMBL8459711 0.88 REN (0.37) RORCREN
SCHEMBL4582049 0.87 REN (0.37) RORCRENHRH2HRH1

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