SCHEMBL4873769

SCHEMBL4873769

CN(C)c1ccc(CC(N)C(=O)N2Cc3ccccc3C2)c(Cl)c1.Cc1ccc(-c2ccc(CC(N)C(=O)N3Cc4ccccc4C3)c(Cl)c2)c(C)c1.NC(Cc1ccc(NCc2ccccc2)cc1Cl)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 15/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 3/20 0.37
DPP7 Q9UHL4 3/20 0.37
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL4778445 0.84 HDAC8 (0.65) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4770102 0.82 HDAC8 (0.67) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4775526 0.79 HDAC8 (0.73) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4778060 0.76 HDAC8 (0.69) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4779469 0.75 HDAC8 (0.76) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4779462 0.75 HDAC8 (0.76) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4772336 0.74 HDAC8 (0.71) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4772737 0.74 HDAC8 (0.60) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4772725 0.74 HDAC8 (0.78) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4909818 0.73 HDAC8 (0.69) HDAC8HDAC1HDAC3HDAC2HDAC6

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-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed