SCHEMBL26061353

SCHEMBL26061353

CN1C[C@]2(CN3CCc4ncc(C(=O)NO)cc4C3)C[C@H]1CO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.36
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
HSP90AA1 P07900 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
CCR2 P41597 2/20 0.31
KCNH2 Q12809 1/20 0.31
ABCB1 P08183 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL26056274 1.00 HDAC6 (0.36) HDAC6P2RX3P2RX2HDAC3HDAC1
SCHEMBL26051957 0.94 P2RX3 (0.35) HDAC6P2RX3P2RX2HDAC3HDAC1
SCHEMBL26051960 0.94 P2RX3 (0.35) HDAC6P2RX3P2RX2HDAC3HDAC1
SCHEMBL26061354 0.89 HDAC6 (0.35) HDAC6HDAC3HDAC1HDAC2PRMT5
SCHEMBL26061355 0.89 HDAC6 (0.35) HDAC6HDAC3HDAC1HDAC2PRMT5
SCHEMBL26051965 0.85 HDAC6 (0.33) HDAC6P2RX3P2RX2HDAC3HDAC1
SCHEMBL26051964 0.85 HDAC6 (0.33) HDAC6P2RX3P2RX2HDAC3HDAC1
SCHEMBL26056261 0.84 HDAC6 (0.39) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL26055853 0.83 P2RX3 (0.34) HDAC6P2RX3P2RX2HDAC3HDAC1
SCHEMBL26055748 0.83 P2RX3 (0.34) HDAC6P2RX3P2RX2HDAC3HDAC1

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