SCHEMBL5789073

SCHEMBL5789073

N#CC1CSCN1C(=O)CNC12CC3CC(C1)C(NCC(=O)N1CCC[C@H]1C#N)C(C3)C2

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.66
DPP8 Q6V1X1 4/20 0.55
DPP9 Q86TI2 4/20 0.55
FAP Q12884 1/20 0.55

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
SCHEMBL5790416 0.88 DPP4 (0.64) DPP4DPP8DPP9FAP
SCHEMBL5790418 0.88 DPP4 (0.64) DPP4DPP8DPP9FAP
SCHEMBL5820943 0.87 DPP4 (0.71) DPP4DPP8DPP9FAP
SCHEMBL5789928 0.82 DPP4 (0.69) DPP4DPP8DPP9
SCHEMBL5789195 0.81 DPP4 (0.63) DPP4DPP8DPP9FAP
SCHEMBL13316742 0.81 DPP4 (1.00) DPP4DPP8DPP9FAP
SCHEMBL368008 0.81 DPP4 (1.00) DPP4DPP8DPP9FAP
SCHEMBL10063620 0.80 DPP4 (0.79) DPP4DPP8DPP9FAP
SCHEMBL6854089 0.80 DPP4 (0.79) DPP4DPP8DPP9FAP
SCHEMBL10063621 0.80 DPP4 (0.79) DPP4DPP8DPP9FAP

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-2006012441-A1 PEPTIDASE INHIBITORS ROYALTY SUSAN MARIE (US) 2006-02-02 WO disclosed