SCHEMBL4404893

SCHEMBL4404893

CC(=O)NC1CCN(C(=O)CCN2Cc3nc(C)c(CNC(=O)OC(C)(C)C)c(-c4ccc(Cl)cc4Cl)c3C2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.38
DPP8 Q6V1X1 15/20 0.38
DPP9 Q86TI2 13/20 0.38
CYP3A4 P08684 3/20 0.36
MAPK8 P45983 1/20 0.35
KCNH2 Q12809 1/20 0.33

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
SCHEMBL8269112 1.00 DPP4 (0.38) DPP4DPP8DPP9CYP3A4MAPK8
SCHEMBL2705642 0.91 DPP4 (0.41) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL2705653 0.91 DPP4 (0.41) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL2701673 0.87 DPP4 (0.50) DPP4DPP8DPP9CYP3A4
SCHEMBL2701676 0.87 DPP4 (0.50) DPP4DPP8DPP9CYP3A4
SCHEMBL2704200 0.84 DPP4 (0.44) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL2705645 0.81 DPP4 (0.38) DPP4DPP8DPP9CYP3A4
SCHEMBL2705289 0.80 DPP4 (0.53) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL4405019 0.79 DPP4 (0.54) DPP4DPP8DPP9CYP3A4KCNH2
SCHEMBL2703712 0.77 DPP4 (0.46) DPP4DPP8DPP9CYP3A4KCNH2

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
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed