SCHEMBL7994440

SCHEMBL7994440

CC[C@@H](C[C@@H]1CC[C@@H](OCc2ccc3c(c2)N(CCCOC)CC(C)(C)O3)CN1)NC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL13601262 0.88 BACE1 (0.36) BACE1
SCHEMBL13601255 0.82 BACE1 (0.36) BACE1
SCHEMBL4508013 0.82 BACE1 (0.32) BACE1
SCHEMBL8004956 0.82 BACE1 (0.35) BACE1
SCHEMBL7992575 0.81 BACE1 (0.38) BACE1
SCHEMBL8005030 0.81 REN (0.32) BACE1
SCHEMBL8004960 0.80 CTSD (0.31)
SCHEMBL8009577 0.80 CTSD (0.31)
SCHEMBL13601253 0.80 CTSD (0.31)
SCHEMBL4517448 0.80

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