SCHEMBL8258202

SCHEMBL8258202

CCN(C)C(=O)CO[C@@H]1CNC[C@H](OCc2ccc3c(c2)N(CCCOC)CCO3)C1c1ccc(COC)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.38
RORC P51449 5/20 0.33
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL4534720 1.00 REN (0.38) RENRORCTSHRKMT2A
SCHEMBL2684845 0.95 REN (0.39) RENRORCTSHRKMT2A
SCHEMBL8471463 0.95 REN (0.42) RENRORCKMT2A
SCHEMBL2683202 0.95 REN (0.42) RENRORCKMT2A
SCHEMBL8234737 0.94 REN (0.42) RENRORC
SCHEMBL3906372 0.94 REN (0.40) RENRORC
SCHEMBL3906351 0.94 REN (0.42) RENRORC
SCHEMBL13678856 0.94 REN (0.38) RENRORCTSHRKMT2A
SCHEMBL2684091 0.93 REN (0.37) RENRORCKMT2A
SCHEMBL2684089 0.90 REN (0.34) RENRORCKMT2A

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
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed