SCHEMBL10219640

SCHEMBL10219640

CC#CCn1c(=O)n(Cc2ccccc2N)c2nc(OC)nc(N3CCNCC3)c21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.44
FAP Q12884 6/20 0.43
DPP9 Q86TI2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
CHRM1 P11229 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10222244 0.88 DPP4 (0.43) DPP4FAPDPP9L3MBTL1CHRM1
SCHEMBL10190443 0.88 DPP4 (0.51) DPP4FAPDPP9
SCHEMBL13866916 0.85 DPP4 (0.49) DPP4FAPDPP9CHRM1
Trifluoroacetic Acid SCHEMBL3880948 0.82 DPP4 (0.45) DPP4FAPDPP9
SCHEMBL13866920 0.82 DPP4 (0.48) DPP4FAPDPP9CHRM1
SCHEMBL13866924 0.82 DPP4 (0.48) DPP4FAPDPP9
SCHEMBL13866930 0.81 DPP4 (0.47) DPP4FAPDPP9CHRM1ALDH1A1
SCHEMBL13866841 0.81 DPP4 (0.59) DPP4FAPDPP9CHRM1
SCHEMBL13866918 0.79 DPP4 (0.44) DPP4FAPDPP9L3MBTL1
SCHEMBL13866922 0.79 DPP4 (0.44) DPP4FAPDPP9

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
EP-1713780-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-01-18 EP disclosed