SCHEMBL7563407

SCHEMBL7563407

COCC(COC(OC1CN(C(=O)O)CCC1c1ccc(OCCCOCc2cccs2)cc1)c1ccc2ccccc2c1)OC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.34
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 2/20 0.32
GPR88 Q9GZN0 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
SCHEMBL7563412 1.00 REN (0.34) RENCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7567638 0.84 REN (0.48) REN
SCHEMBL7567650 0.84 REN (0.48) REN
SCHEMBL6041436 0.83 REN (0.44) REN
SCHEMBL6041428 0.83 REN (0.44) REN
SCHEMBL6041280 0.81 REN (0.35) REN
SCHEMBL6041282 0.81 REN (0.35) REN
SCHEMBL7563899 0.79 REN (0.37) REN
SCHEMBL7566308 0.79 REN (0.37) REN
SCHEMBL7560414 0.77 MAPT (0.43) REN

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-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed