SCHEMBL3971512

SCHEMBL3971512

CN(C)c1nc2c(c(=O)n1C)N(Cc1ccccc1)C(N1CCCC(N)C1)N2OC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.39
AADAT Q8N5Z0 1/20 0.35
CHRM1 P11229 2/20 0.34
KCNH2 Q12809 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL3971380 0.92 DPP4 (0.40) DPP4CHRM1KCNH2
SCHEMBL3973726 0.91 DPP4 (0.39) DPP4
SCHEMBL3971268 0.89 DPP4 (0.38) DPP4KCNH2
SCHEMBL3975266 0.89 DPP4 (0.39) DPP4KCNH2
SCHEMBL3965788 0.88 DPP4 (0.36) DPP4
SCHEMBL3971303 0.88 DPP4 (0.37) DPP4AADATKCNH2
SCHEMBL1071796 0.88 DPP4 (0.37) DPP4AADAT
SCHEMBL3973460 0.86 TP53 (0.38) DPP4
SCHEMBL3971754 0.85 DPP4 (0.35) DPP4KCNH2
SCHEMBL3975232 0.85 MAPT (0.38) 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
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed