SCHEMBL6530052

SCHEMBL6530052

CCc1nnc(C(=O)C2CCCN2C(=O)CNC23CC4CC(CC(C4)C2)C3)o1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.79
DPP7 Q9UHL4 9/20 0.79
DPP8 Q6V1X1 8/20 0.79
FAP Q12884 3/20 0.52
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
DPP9 Q86TI2 1/20 0.40

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
SCHEMBL6509890 0.79 DPP4 (1.00) DPP4DPP7DPP8FAPDPP9
SCHEMBL6530301 0.79 DPP4 (0.50) DPP4DPP7DPP8LMNARAB9A
SCHEMBL6532846 0.73 ALDH1A1 (0.50) DPP4DPP7DPP8LMNARAB9A
SCHEMBL6529836 0.71 DPP4 (1.00) DPP4DPP7DPP8FAP
SCHEMBL6530581 0.71 DPP4 (1.00) DPP4DPP7DPP8FAP
SCHEMBL6530574 0.71 DPP4 (1.00) DPP4DPP7DPP8FAP
SCHEMBL6507564 0.71 DPP4 (0.73) DPP4DPP7DPP8FAPDPP9
SCHEMBL6514829 0.69 DPP4 (0.70) DPP4DPP7DPP8LMNARAB9A
SCHEMBL6529840 0.69 DPP4 (0.68) DPP4DPP7DPP8FAP
SCHEMBL17048338 0.69 DPP4 (0.69) DPP4DPP7DPP8FAPDPP9

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