SCHEMBL8203641

SCHEMBL8203641

CN(C)C(=O)[C@H](Cc1ccc(Oc2ccc(Nc3ccccn3)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL4727239 0.90 ITGB3 (0.54) HDAC8
SCHEMBL4081470 0.90 ITGB3 (0.54) HDAC8
SCHEMBL8213080 0.89 KLK5 (0.48) HDAC8
SCHEMBL4086307 0.89 KLK5 (0.48) HDAC8
SCHEMBL8203638 0.81
SCHEMBL8212218 0.79 F2 (0.49)
SCHEMBL8215211 0.79 DPP4 (0.46)
SCHEMBL4826858 0.78 ITGB3 (0.50) HDAC8
SCHEMBL14003050 0.78 ITGB3 (0.50) HDAC8
SCHEMBL4739863 0.78 ACE (0.60) HDAC8

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
WO-2008029217-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-03-13 WO disclosed