SCHEMBL8269752

SCHEMBL8269752

CC1[C@@H](C)CC(C(N)=O)N1C(=O)C(NC(=O)OC(C)(C)C)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.36
DPP8 Q6V1X1 3/20 0.34
DPP9 Q86TI2 3/20 0.34
CYP3A4 P08684 1/20 0.34
FAP Q12884 1/20 0.32
PITRM1 Q5JRX3 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
PEPD P12955 1/20 0.31
XPNPEP1 Q9NQW7 1/20 0.31

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
SCHEMBL8270356 1.00 DPP4 (0.36) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL14899641 1.00 DPP4 (0.36) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL14899591 0.90 DPP4 (0.36) DPP4DPP8DPP9FAPDPP7
SCHEMBL17598283 0.88 DPP4 (0.34) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL15827635 0.88 DPP4 (0.37) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL8269749 0.88 DPP4 (0.43) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL2434106 0.88 DPP4 (0.43) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL8277771 0.88 DPP4 (0.43) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL8276954 0.88 DPP4 (0.43) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL15149979 0.88 DPP4 (0.43) DPP4DPP8DPP9CYP3A4FAP

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-2005115982-A1 PROCESS FOR PRODUCING A DIPEPTIDYL PEPTIDASE IV INHIBITOR BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-08 WO disclosed