SCHEMBL7992048

SCHEMBL7992048

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.50
HDAC8 Q9BY41 7/20 0.45
PTPN1 P18031 2/20 0.41
PREP P48147 3/20 0.41
FAP Q12884 2/20 0.40
DPP8 Q6V1X1 2/20 0.40

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
SCHEMBL7992051 1.00 DPP4 (0.50) DPP4HDAC8PTPN1PREPFAP
SCHEMBL7995839 0.89 DPP4 (0.64) DPP4HDAC8PTPN1PREPFAP
SCHEMBL7977842 0.89 DPP4 (0.64) DPP4HDAC8PTPN1PREPFAP
SCHEMBL7989939 0.86 HDAC8 (0.48) HDAC8PTPN1
SCHEMBL7988401 0.85 DPP4 (0.48) DPP4HDAC8PTPN1PREPFAP
SCHEMBL7988406 0.85 DPP4 (0.48) DPP4HDAC8PTPN1PREPFAP
SCHEMBL864877 0.85 DPP4 (0.50) DPP4HDAC8PTPN1PREPFAP
SCHEMBL7989672 0.85 HDAC8 (0.50) DPP4HDAC8PREPFAP
SCHEMBL7989903 0.84 HDAC8 (0.53) DPP4HDAC8
SCHEMBL7989905 0.84 HDAC8 (0.53) DPP4HDAC8

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