SCHEMBL7988600

SCHEMBL7988600

CC(C)(C)OC(=O)N1Cc2cc(OCc3ccccc3)ccc2C[C@H]1C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.52
DPP4 P27487 4/20 0.48
GHSR Q92847 4/20 0.46
PREP P48147 1/20 0.45
PTPN1 P18031 1/20 0.45

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
SCHEMBL7989672 0.88 HDAC8 (0.50) HDAC8DPP4PREP
SCHEMBL7989905 0.87 HDAC8 (0.53) HDAC8DPP4
SCHEMBL7989903 0.87 HDAC8 (0.53) HDAC8DPP4
SCHEMBL7977842 0.86 DPP4 (0.64) HDAC8DPP4PREPPTPN1
SCHEMBL7995839 0.86 DPP4 (0.64) HDAC8DPP4PREPPTPN1
SCHEMBL7990125 0.85 HDAC8 (0.48) HDAC8DPP4PREP
SCHEMBL7990129 0.85 HDAC8 (0.48) HDAC8DPP4PREP
SCHEMBL7988406 0.84 DPP4 (0.48) HDAC8DPP4PREPPTPN1
SCHEMBL7988401 0.84 DPP4 (0.48) HDAC8DPP4PREPPTPN1
SCHEMBL864877 0.84 DPP4 (0.50) HDAC8DPP4PREPPTPN1

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