SCHEMBL8002690

SCHEMBL8002690

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.35
RORC P51449 6/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.31
BACE1 P56817 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
SCHEMBL13601239 1.00 REN (0.35) RENRORCTSHRKMT2ABACE1
SCHEMBL4495264 0.90 REN (0.35) RENTSHRKMT2A
SCHEMBL8228289 0.86 KMT2A (0.36) RENRORCTSHRKMT2A
SCHEMBL8002303 0.86 KMT2A (0.36) RENRORCTSHRKMT2A
SCHEMBL8001171 0.86 KMT2A (0.36) RENRORCTSHRKMT2A
SCHEMBL8002227 0.86 REN (0.35) RENRORCTSHRKMT2ABACE1
SCHEMBL13601217 0.86 REN (0.35) RENRORCTSHRKMT2ABACE1
SCHEMBL8224959 0.86 REN (0.35) RENRORCTSHRKMT2ABACE1
SCHEMBL2922670 0.85 REN (0.34) RENRORC
SCHEMBL13435440 0.85 REN (0.34) RENRORC

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
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed