SCHEMBL7989672

SCHEMBL7989672

CCCOc1ccc2c(c1)CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC[C@H]1C#N)C2

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 15/20 0.50
DPP4 P27487 2/20 0.50
PREP P48147 1/20 0.43
FAP Q12884 2/20 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
SCHEMBL7990129 0.92 HDAC8 (0.48) HDAC8DPP4PREPFAP
SCHEMBL7990125 0.92 HDAC8 (0.48) HDAC8DPP4PREPFAP
SCHEMBL7977929 0.90 HDAC8 (0.47) HDAC8DPP4FAP
SCHEMBL7989903 0.89 HDAC8 (0.53) HDAC8DPP4
SCHEMBL7989905 0.89 HDAC8 (0.53) HDAC8DPP4
SCHEMBL7995839 0.89 DPP4 (0.64) HDAC8DPP4PREPFAP
SCHEMBL7977842 0.89 DPP4 (0.64) HDAC8DPP4PREPFAP
SCHEMBL7988600 0.88 HDAC8 (0.52) HDAC8DPP4PREP
SCHEMBL7988401 0.85 DPP4 (0.48) HDAC8DPP4PREPFAP
SCHEMBL7988406 0.85 DPP4 (0.48) HDAC8DPP4PREPFAP

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