SCHEMBL6529969

SCHEMBL6529969

CC(C)(Cc1ccc(F)cc1)NCCN1CCCC1C(=O)c1nnc(C(C)(C)C)o1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.60
DPP8 Q6V1X1 5/20 0.60
DPP7 Q9UHL4 4/20 0.60
GRM2 Q14416 1/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
CASR P41180 1/20 0.35
LTA4H P09960 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ELANE P08246 1/20 0.34
VNN1 O95497 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 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
SCHEMBL6529971 0.84 DPP4 (0.75) DPP4DPP8DPP7
SCHEMBL6528894 0.80 DPP4 (0.52) DPP4DPP8DPP7CNR2CNR1
SCHEMBL6533454 0.76 DPP4 (0.59) DPP4DPP8DPP7VNN1
SCHEMBL24928349 0.71 DPP4 (0.58) DPP4DPP8DPP7CNR2ELANE
SCHEMBL6530976 0.68 ACKR3 (0.39) DPP4DPP8DPP7GRM2ALDH1A1
SCHEMBL6530636 0.68 DPP4 (0.74) DPP4DPP8DPP7
SCHEMBL6531194 0.68 DPP4 (0.69) DPP4DPP8DPP7ALDH1A1L3MBTL1
SCHEMBL6527980 0.67 DPP4 (0.45) DPP4DPP8DPP7ALDH1A1L3MBTL1
SCHEMBL6531965 0.67 DPP4 (0.82) DPP4DPP8DPP7
SCHEMBL6531765 0.67 DPP4 (1.00) DPP4DPP8DPP7

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-2005037828-A1 NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2005-04-28 WO disclosed