SCHEMBL8224959

SCHEMBL8224959

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC(C)NC(=O)C(C)(C)C)NC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.35
RORC P51449 9/20 0.33
BACE1 P56817 2/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
BACE2 Q9Y5Z0 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
SCHEMBL13601217 1.00 REN (0.35) RENRORCBACE1TSHRKMT2A
SCHEMBL8002227 1.00 REN (0.35) RENRORCBACE1TSHRKMT2A
SCHEMBL13601239 0.86 REN (0.35) RENRORCBACE1TSHRKMT2A
SCHEMBL8002690 0.86 REN (0.35) RENRORCBACE1TSHRKMT2A
SCHEMBL8007298 0.85 REN (0.36) RENRORCBACE1TSHRKMT2A
SCHEMBL8007301 0.84 REN (0.37) RENRORCBACE1TSHRKMT2A
SCHEMBL2916732 0.84 REN (0.34) RENRORC
SCHEMBL8004948 0.84 REN (0.35) RENRORCBACE1TSHRKMT2A
SCHEMBL4495264 0.83 REN (0.35) RENTSHRKMT2A
SCHEMBL4510550 0.83 KMT2A (0.38) RENRORCBACE1TSHRKMT2A

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-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed