SCHEMBL7977842

SCHEMBL7977842

COc1ccc2c(c1)CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC[C@H]1C#N)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.64
HDAC8 Q9BY41 5/20 0.53
DPP8 Q6V1X1 3/20 0.48
PTPN1 P18031 2/20 0.46
PREP P48147 2/20 0.46
FAP Q12884 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
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

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
SCHEMBL7995839 1.00 DPP4 (0.64) DPP4HDAC8DPP8PTPN1PREP
SCHEMBL7988401 0.89 DPP4 (0.48) DPP4HDAC8DPP8PTPN1PREP
SCHEMBL7988406 0.89 DPP4 (0.48) DPP4HDAC8DPP8PTPN1PREP
SCHEMBL7989672 0.89 HDAC8 (0.50) DPP4HDAC8PREPFAP
SCHEMBL864877 0.89 DPP4 (0.50) DPP4HDAC8DPP8PTPN1PREP
SCHEMBL7992051 0.89 DPP4 (0.50) DPP4HDAC8DPP8PTPN1PREP
SCHEMBL7992048 0.89 DPP4 (0.50) DPP4HDAC8DPP8PTPN1PREP
SCHEMBL7989903 0.88 HDAC8 (0.53) DPP4HDAC8HDAC3HDAC4HDAC1
SCHEMBL7989905 0.88 HDAC8 (0.53) DPP4HDAC8HDAC3HDAC4HDAC1
SCHEMBL7989792 0.88 DPP4 (0.51) DPP4HDAC8DPP8PREPDPP7

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