SCHEMBL2221115

SCHEMBL2221115

CN(C)CCC(CC(CCc1noc(C(F)F)n1)C(N)=O)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.32
HCRTR2 O43614 7/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
PDE4B Q07343 2/20 0.31
LMNA P02545 1/20 0.30
HDAC4 P56524 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
SCHEMBL2345961 0.82 MCHR1 (0.33) HCRTR1HCRTR2HDAC1HDAC8HDAC6
SCHEMBL2221964 0.78 HDAC6 (0.41) HDAC1HDAC8HDAC6HDAC4
SCHEMBL2221954 0.78 HDAC1 (0.33) HCRTR1HCRTR2HDAC1HDAC8HDAC6
SCHEMBL2221125 0.74 HDAC4 (0.38) HDAC1HDAC8HDAC6HDAC4
SCHEMBL6976073 0.73 HDAC8 (0.36) HDAC1HDAC8HDAC6PDE4BLMNA
SCHEMBL14297246 0.73 MCHR1 (0.34) HDAC1HDAC8HDAC6PPARGPPARA
SCHEMBL12517334 0.70 HDAC4 (0.39) HDAC1HDAC8HDAC6HDAC4
SCHEMBL2224057 0.68 HDAC4 (0.46) HDAC1HDAC8HDAC6PPARGPPARA
SCHEMBL2223308 0.67 HDAC4 (0.43) HDAC1HDAC8HDAC6PPARGPPARA
SCHEMBL14752482 0.67 MCHR1 (0.40) HDAC1HDAC8HDAC6HDAC4

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
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed