SCHEMBL7989903

SCHEMBL7989903

CC(C)(C)OC(=O)N1Cc2cc(OCC(N)=O)ccc2C[C@H]1C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 18/20 0.53
DPP4 P27487 2/20 0.49
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL7989905 1.00 HDAC8 (0.53) HDAC8DPP4HDAC3HDAC4HDAC1
SCHEMBL7989672 0.89 HDAC8 (0.50) HDAC8DPP4
SCHEMBL7995839 0.88 DPP4 (0.64) HDAC8DPP4HDAC3HDAC4HDAC1
SCHEMBL7977842 0.88 DPP4 (0.64) HDAC8DPP4HDAC3HDAC4HDAC1
SCHEMBL7988600 0.87 HDAC8 (0.52) HDAC8DPP4
SCHEMBL7990129 0.86 HDAC8 (0.48) HDAC8DPP4
SCHEMBL7990125 0.86 HDAC8 (0.48) HDAC8DPP4
SCHEMBL5208196 0.85 HDAC8 (0.50) HDAC8DPP4
SCHEMBL7977929 0.85 HDAC8 (0.47) HDAC8DPP4
SCHEMBL7988406 0.84 DPP4 (0.48) HDAC8DPP4

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
US-6172081-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS; NON-INSULIN DEPENDENT DIABETES NOVARTIS AG (CH) 2001-01-09 US disclosed