SCHEMBL21476974

SCHEMBL21476974

CC(=O)N1CCC2(CN(CNc3cc(-c4ccc(F)cc4)ccc3N)C2)C1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 20/20 0.60
HDAC1 Q13547 15/20 0.60
HDAC3 O15379 7/20 0.60

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
SCHEMBL13833583 0.85 HDAC2 (0.84) HDAC2HDAC1HDAC3
SCHEMBL20364790 0.77 HDAC2 (0.74) HDAC2HDAC1HDAC3
SCHEMBL13833441 0.76 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL20364808 0.73 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL13833479 0.73 HDAC2 (0.74) HDAC2HDAC1HDAC3
SCHEMBL20364807 0.72 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL19204267 0.72 HDAC2 (0.79) HDAC2HDAC1HDAC3
SCHEMBL18375007 0.71 HDAC2 (1.00) HDAC2HDAC1HDAC3
SCHEMBL19204304 0.71 HDAC2 (0.68) HDAC2HDAC1HDAC3
SCHEMBL21476956 0.71 HDAC2 (0.69) HDAC2HDAC1HDAC3

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
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 EP disclosed