SCHEMBL6527697

SCHEMBL6527697

COCOCC(C)(C)NCCN1CCCC1C(=O)c1noc(C2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.41
DPP8 Q6V1X1 7/20 0.41
DPP7 Q9UHL4 7/20 0.41
SMYD3 Q9H7B4 3/20 0.34
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CPT2 P23786 1/20 0.30
CPT1A P50416 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
SCHEMBL6529451 0.97 DPP4 (0.40) DPP4DPP8DPP7SMYD3CNR1
SCHEMBL6532892 0.88 DPP4 (0.53) DPP4DPP8DPP7CNR1CNR2
SCHEMBL6527703 0.85 DPP4 (0.59) DPP4DPP8DPP7CPT2CPT1A
SCHEMBL6530976 0.82 ACKR3 (0.39) DPP4DPP8DPP7ALDH1A1
SCHEMBL6529453 0.82 DPP4 (0.58) DPP4DPP8DPP7CPT2CPT1A
SCHEMBL6527980 0.81 DPP4 (0.45) DPP4DPP8DPP7ALDH1A1L3MBTL1
SCHEMBL6528894 0.78 DPP4 (0.52) DPP4DPP8DPP7CNR1CNR2
SCHEMBL6532456 0.78 DPP4 (0.64) DPP4DPP8DPP7CPT2CPT1A
SCHEMBL6530982 0.75 DPP4 (0.63) DPP4DPP8DPP7CPT2CPT1A
SCHEMBL6529876 0.74 DPP4 (0.75) 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