SCHEMBL7562261

SCHEMBL7562261

C[Si](C)(C)CCC1C(OCc2cc(O)c3ccccc3c2)C(c2ccc(F)cc2)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TACR1 P25103 5/20 0.32
BCHE P06276 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGER1 P34995 2/20 0.31
SLC6A4 P31645 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
PDE10A Q9Y233 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL6042403 0.86 PTGER1 (0.37) PTGER1
SCHEMBL6042169 0.86 REN (0.38) MEN1KMT2ATACR1PTGER1
SCHEMBL6041450 0.85 TACR1 (0.36) TACR1
SCHEMBL6042274 0.75 REN (0.38) MEN1KMT2ATACR1ALDH1A1
SCHEMBL6042567 0.69 REN (0.38) TACR1ALDH1A1PTGER1
SCHEMBL6042512 0.67 REN (0.42) MEN1KMT2A
SCHEMBL7504338 0.67 REN (0.37) PTGER1
SCHEMBL27504637 0.67 TACR1 (0.39) TACR1
SCHEMBL6042327 0.67 REN (0.58)
SCHEMBL6041569 0.66 REN (0.39)

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