SCHEMBL8354586

SCHEMBL8354586

CCn1c(N2CCC[C@@H](N)C2)nc2c(C)nn(Cc3nc(-c4ccccc4)c4ccccc4n3)c(=O)c21

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.71
CHRM1 P11229 3/20 0.71
FAP Q12884 3/20 0.50
POU2F2 P09086 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
POU2F1 P14859 1/20 0.50
CHRM3 P20309 1/20 0.50
HRH2 P25021 1/20 0.50
MC4R P32245 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
GHSR Q92847 1/20 0.50
CYP3A4 P08684 1/20 0.46

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
SCHEMBL8354649 0.93 DPP4 (0.81) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL5842872 0.91 DPP4 (0.88) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL5842865 0.91 DPP4 (0.88) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL8354330 0.86 DPP4 (0.69) DPP4CHRM1CYP3A4
SCHEMBL12229295 0.86 DPP4 (0.66) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL5842422 0.83 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL5842437 0.83 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL2949895 0.80 DPP4 (0.81) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL8283962 0.80 DPP4 (0.63) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL8349851 0.79 DPP4 (0.62) DPP4CHRM1CYP3A4

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