SCHEMBL4773522

SCHEMBL4773522

N[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)C(=O)N1Cc2ccccc2C1.N[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.58
DPP4 P27487 3/20 0.49
PDE4B Q07343 1/20 0.44
DPP8 Q6V1X1 2/20 0.43
DPP7 Q9UHL4 2/20 0.42
DPP9 Q86TI2 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL4904700 0.89 HDAC8 (0.66) HDAC8PDE4BDPP8DPP7DPP9
SCHEMBL4904692 0.89 HDAC8 (0.66) HDAC8PDE4BDPP8DPP7DPP9
SCHEMBL4909661 0.86 HDAC8 (0.75) HDAC8DPP4DPP8DPP7DPP9
SCHEMBL4777022 0.86 HDAC8 (0.75) HDAC8DPP4DPP8DPP7DPP9
SCHEMBL4771058 0.81 HDAC8 (0.71) HDAC8DPP4PDE4BDPP8DPP7
SCHEMBL4796631 0.81 HDAC8 (0.71) HDAC8DPP4PDE4BDPP8DPP7
SCHEMBL4770560 0.81 DPP4 (0.69) HDAC8DPP4DPP8HDAC3HDAC1
SCHEMBL4909987 0.81 DPP4 (0.69) HDAC8DPP4DPP8HDAC3HDAC1
SCHEMBL4774983 0.79 HDAC8 (0.83) HDAC8DPP4DPP8DPP7DPP9
SCHEMBL4774993 0.79 HDAC8 (0.83) HDAC8DPP4DPP8DPP7DPP9

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