SCHEMBL17598283

SCHEMBL17598283

C[C@H]1CC(C(=O)N=NN)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C23CC4CC(CC(O)(C4)C2)C3)[C@H]1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.34
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 3/20 0.32
CYP3A4 P08684 1/20 0.32
FAP Q12884 1/20 0.30
PITRM1 Q5JRX3 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL14899641 0.88 DPP4 (0.36) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL8270356 0.88 DPP4 (0.36) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL8269752 0.88 DPP4 (0.36) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL14532904 0.80 DPP4 (0.46) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL8328208 0.80 DPP4 (0.46) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL14899591 0.79 DPP4 (0.36) DPP4DPP8DPP9FAPDPP7
SCHEMBL15827635 0.79 DPP4 (0.37) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL12969791 0.77 DPP4 (0.43) DPP4DPP8DPP9CYP3A4
SCHEMBL8269749 0.76 DPP4 (0.43) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL2434106 0.76 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
EP-2995615-A1 CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2016-03-16 EP disclosed