SCHEMBL4770838

SCHEMBL4770838

NC(Cc1cc2ccccc2[nH]1)C(=O)N1Cc2ccccc2C1.NC1(C(=O)N2Cc3ccccc3C2)CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.51
HDAC8 Q9BY41 10/20 0.46
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NLN Q9BYT8 1/20 0.41
DPP7 Q9UHL4 5/20 0.39
DPP8 Q6V1X1 4/20 0.39
DPP9 Q86TI2 4/20 0.38
RAD52 P43351 1/20 0.37
UBE2N P61088 1/20 0.37
NR3C1 P04150 1/20 0.36

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
SCHEMBL4872511 0.85 DPP4 (0.66) DPP4HDAC8HDAC3HDAC1HDAC2
SCHEMBL4770914 0.76 DPP9 (0.54) DPP4DPP7DPP9
Hydrochloric Acid SCHEMBL6164070 0.67 HDAC8 (0.46) DPP4HDAC8NLNRAD52
SCHEMBL4393088 0.67 ALPI (0.54) DPP4
SCHEMBL29574121 0.67 ALPI (0.54) DPP4
SCHEMBL29440959 0.67 ALPI (0.54) DPP4
SCHEMBL45382 0.67 ALPI (0.54) DPP4
SCHEMBL2700469 0.67 ALPI (0.54) DPP4
SCHEMBL12936626 0.66 MTNR1A (0.54) DPP4
SCHEMBL5295982 0.66 TSHR (0.53) DPP4RAD52UBE2N

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 disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO disclosed