SCHEMBL19909617

SCHEMBL19909617

CC(C(=O)N1CCCC1)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.70
HSD11B1 P28845 3/20 0.52
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
FAP Q12884 1/20 0.46
PITRM1 Q5JRX3 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3165214 0.82 DPP4 (1.00) DPP4HSD11B1DPP8DPP9FAP
SCHEMBL3165211 0.82 DPP4 (1.00) DPP4HSD11B1DPP8DPP9FAP
SCHEMBL8250495 0.78 DPP4 (0.48) DPP4HSD11B1DPP8DPP9FAP
SCHEMBL13148519 0.78 DPP4 (0.48) DPP4HSD11B1DPP8DPP9FAP
SCHEMBL3160620 0.74 DPP4 (0.55) DPP4HSD11B1DPP8DPP9FAP
SCHEMBL3160626 0.74 DPP4 (0.55) DPP4HSD11B1DPP8DPP9FAP
SCHEMBL8299827 0.74 DPP4 (0.58) DPP4HSD11B1DPP8DPP9FAP
SCHEMBL9918349 0.71 GRIN2D (0.59) DPP4HSD11B1DPP8DPP9FAP
SCHEMBL3878156 0.71 PKM (0.47) DPP4DPP8DPP9FAPPITRM1
SCHEMBL9918883 0.71 GRIN2D (0.59) DPP4HSD11B1DPP8DPP9FAP

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-3122724-B1 A PROCESS FOR PRODUCING SAXAGLIPTIN ZENTIVA KS (CZ) 2018-02-28 EP disclosed