SCHEMBL8470992

SCHEMBL8470992

CCNC(=O)C(C)(C)CC1C[C@H](c2ccc(COCCOC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.35
RORC P51449 3/20 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
SCHEMBL2923032 1.00 REN (0.35) RENRORC
SCHEMBL4647507 0.94 REN (0.33) REN
SCHEMBL2924065 0.94 REN (0.33) REN
SCHEMBL2922512 0.94 REN (0.33) REN
SCHEMBL2920516 0.93 REN (0.36) RENRORC
SCHEMBL1039228 0.92 REN (0.34) RENRORC
SCHEMBL2919734 0.91 TSHR (0.35) REN
SCHEMBL4534823 0.90 REN (0.34) REN
SCHEMBL2924373 0.90 REN (0.32) REN
SCHEMBL2926428 0.89 REN (0.33) REN

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-1958634-A2 Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease Speedel Experimenta AG (CH) 2008-08-20 EP disclosed