SCHEMBL26052166

SCHEMBL26052166

CNCCCC1(C)CC(N2CCc3cc(C(=O)NO)cnc3C2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.38
ADRA1A P35348 3/20 0.34
HDAC8 Q9BY41 2/20 0.32
HRH3 Q9Y5N1 2/20 0.31
GUCY1B2 O75343 2/20 0.31
GUCY1A2 P33402 2/20 0.31
GUCY1A1 Q02108 2/20 0.31
GUCY1B1 Q02153 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL26052112 0.94 HDAC6 (0.39) HDAC6ADRA1AHDAC8HRH3GUCY1B2
SCHEMBL26058750 0.89 ADRA1A (0.39) HDAC6ADRA1AHDAC8HRH3GUCY1B2
SCHEMBL26051290 0.89 ADRA1A (0.39) HDAC6ADRA1AHDAC8HRH3GUCY1B2
SCHEMBL26057297 0.88 HDAC6 (0.37) HDAC6ADRA1AHDAC8HRH3GUCY1B2
SCHEMBL26052096 0.87 ADRA1A (0.40) HDAC6ADRA1AHDAC8HRH3GUCY1B2
SCHEMBL26051179 0.86 HDAC6 (0.38) HDAC6ADRA1AHDAC8GUCY1B2GUCY1A2
SCHEMBL26051177 0.86 HDAC6 (0.38) HDAC6ADRA1AHDAC8GUCY1B2GUCY1A2
SCHEMBL26051345 0.86 HDAC6 (0.36) HDAC6ADRA1AHDAC8HRH3HDAC3
SCHEMBL26051041 0.84 HDAC6 (0.44) HDAC6ADRA1AHDAC8HRH3HDAC3
SCHEMBL26051181 0.83 HDAC6 (0.39) HDAC6ADRA1AHDAC8HRH3HDAC3

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-2023150203-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed