SCHEMBL8294342

SCHEMBL8294342

CN(C(=O)[C@@H](N)C1CCCC1)C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.40
ALDH1A1 P00352 1/20 0.38
FAAH O00519 1/20 0.37
PHGDH O43175 1/20 0.37
MGLL Q99685 1/20 0.37
DPP7 Q9UHL4 3/20 0.37
EPHX1 P07099 2/20 0.36
ATM Q13315 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL8294301 0.98 DPP4 (0.42) DPP4ALDH1A1FAAHPHGDHMGLL
SCHEMBL8296704 0.98 DPP4 (0.42) DPP4ALDH1A1FAAHPHGDHMGLL
SCHEMBL8296564 0.98 DPP4 (0.42) DPP4ALDH1A1FAAHPHGDHMGLL
Hydrochloric Acid SCHEMBL6243138 0.96 DPP4 (0.41) DPP4ALDH1A1FAAHPHGDHMGLL
SCHEMBL8294193 0.94 DPP4 (0.42) DPP4ALDH1A1DPP7EPHX1KCNH2
SCHEMBL8294174 0.87 DPP4 (0.39) DPP4ALDH1A1FAAHPHGDHMGLL
SCHEMBL8294202 0.87 DPP4 (0.36) DPP4ALDH1A1FAAHPHGDHMGLL
SCHEMBL8294319 0.87 DPP4 (0.36) DPP4ALDH1A1FAAHPHGDHMGLL
SCHEMBL8294311 0.86 DPP4 (0.36) DPP4ALDH1A1FAAHPHGDHMGLL
SCHEMBL8294239 0.85 EPHX1 (0.47) ALDH1A1EPHX1ATM

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-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 WO disclosed