SCHEMBL8349397

SCHEMBL8349397

CC#CCn1c(N2CCCC(N)C2)nc2ccn(CCc3ccccc3)c(=O)c21

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.72
CHRM1 P11229 1/20 0.58

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
SCHEMBL5840921 0.91 DPP4 (0.79) DPP4CHRM1
SCHEMBL8352558 0.90 DPP4 (0.74) DPP4
SCHEMBL8349399 0.90 DPP4 (0.64) DPP4
SCHEMBL13911712 0.89 DPP4 (0.56) DPP4
SCHEMBL8349806 0.88 DPP4 (0.65) DPP4
SCHEMBL8349877 0.88 DPP4 (0.76) DPP4CHRM1
SCHEMBL8351347 0.87 DPP4 (0.70) DPP4
SCHEMBL8349807 0.86 DPP4 (0.69) DPP4CHRM1
SCHEMBL8354434 0.86 DPP4 (0.76) DPP4CHRM1
SCHEMBL8351412 0.86 DPP4 (0.85) DPP4

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-2004050658-A1 NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-17 WO disclosed