SCHEMBL12801568

SCHEMBL12801568

C[C@@H](O)C(=O)N1CCC(O)C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.58
DPP7 Q9UHL4 5/20 0.50
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
LIPE Q05469 1/20 0.36
PIK3CD O00329 1/20 0.34

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
SCHEMBL3311606 1.00 DPP4 (0.58) DPP4DPP7MEN1ALDH1A1KMT2A
SCHEMBL25798260 1.00 DPP4 (0.58) DPP4DPP7MEN1ALDH1A1KMT2A
SCHEMBL12801567 1.00 DPP4 (0.58) DPP4DPP7MEN1ALDH1A1KMT2A
SCHEMBL3318472 0.88 MEN1 (0.47) DPP4DPP7MEN1ALDH1A1KMT2A
SCHEMBL10311683 0.86 DPP4 (0.60) DPP4DPP7MEN1ALDH1A1KMT2A
SCHEMBL738423 0.86 DPP4 (0.60) DPP4DPP7MEN1ALDH1A1KMT2A
SCHEMBL10311720 0.86 DPP4 (0.60) DPP4DPP7MEN1ALDH1A1KMT2A
SCHEMBL3313740 0.83 CHRNB2 (0.42) DPP4DPP7MEN1ALDH1A1KMT2A
SCHEMBL14655996 0.82 DPP4 (0.66) DPP4DPP7MEN1ALDH1A1KMT2A
SCHEMBL3311604 0.82 MEN1 (0.41) DPP4DPP7MEN1ALDH1A1KMT2A

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-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed