SCHEMBL5380407

SCHEMBL5380407

CC(=O)C1(c2cccc(F)c2F)CNCCO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.39
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SLC6A2 P23975 8/20 0.32
SLC6A4 P31645 8/20 0.32
SLC6A3 Q01959 8/20 0.32
SSTR4 P31391 3/20 0.32
PGR P06401 1/20 0.32
PIM1 P11309 1/20 0.31
HDAC9 Q9UKV0 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
SCHEMBL5385849 0.79 HDAC4 (0.37) HDAC4HDAC3HDAC1HDAC2HDAC6
SCHEMBL10634051 0.78 CRHBP (0.38) HDAC4SLC6A2SLC6A4SLC6A3SSTR4
SCHEMBL5398627 0.75 BAZ2B (0.33) SLC6A2
SCHEMBL28767790 0.74 HTR2A (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL3115682 0.66 HDAC4 (0.42) HDAC4CES2BCHECES1HDAC3
SCHEMBL29240149 0.66 HTR2A (0.41) SLC6A2SLC6A4SLC6A3
Pirepemat SCHEMBL28355846 0.66 HDAC4 (0.40) HDAC4CES2BCHECES1HDAC3
SCHEMBL1329573 0.65 HDAC4 (0.42) HDAC4CES2BCHECES1HDAC3
SCHEMBL30824567 0.65 HDAC4 (0.42) HDAC4CES2BCHECES1HDAC3
SCHEMBL5101790 0.65 HDAC4 (0.39) HDAC4CES2BCHECES1HDAC3

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
US-7238691-B2 Piperidine derivatives and their use as modulators of chemokine (especially CCR3) activity ASTRAZENECA AB (SE) 2007-07-03 US disclosed