SCHEMBL8002693

SCHEMBL8002693

COCCCN1CC(C)(c2cccc(F)c2)Oc2ccc(CO[C@@H]3CC[C@@H](CC(C)C(=O)NCC4CCOCC4)NC3)cc21

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.34
BACE1 P56817 1/20 0.32
GSK3B P49841 1/20 0.30
KCNH2 Q12809 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
SCHEMBL8224975 1.00 CNR2 (0.34) CNR2BACE1GSK3BKCNH2
SCHEMBL13601242 1.00 CNR2 (0.34) CNR2BACE1GSK3BKCNH2
SCHEMBL8004952 0.95 BACE1 (0.34) CNR2BACE1GSK3BKCNH2
SCHEMBL8227066 0.95 BACE1 (0.34) CNR2BACE1GSK3BKCNH2
SCHEMBL7992568 0.93 CNR2 (0.36) CNR2GSK3BKCNH2
SCHEMBL8224503 0.93 CNR2 (0.36) CNR2GSK3BKCNH2
SCHEMBL13601238 0.93 CNR2 (0.36) CNR2GSK3BKCNH2
SCHEMBL4505411 0.90 CNR2 (0.32) CNR2BACE1
SCHEMBL4505409 0.90 CNR2 (0.32) CNR2BACE1
SCHEMBL8225035 0.90 CNR2 (0.32) CNR2BACE1

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-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed