SCHEMBL4636276

SCHEMBL4636276

NC1CCCN(c2nc3nc(NCc4ccccc4)n(Cc4ccccc4F)c(=O)c3n2-c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.48
CYP3A4 P08684 3/20 0.46
FAP Q12884 1/20 0.45

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
SCHEMBL4082595 0.91 DPP4 (0.53) DPP4CYP3A4FAP
SCHEMBL3967148 0.79 DPP4 (0.54) DPP4CYP3A4FAP
SCHEMBL3969500 0.79 DPP4 (0.54) DPP4CYP3A4FAP
SCHEMBL3971411 0.78 DPP4 (0.56) DPP4FAP
SCHEMBL3971487 0.78 DPP4 (0.58) DPP4FAP
SCHEMBL3976287 0.77 DPP4 (0.54) DPP4CYP3A4FAP
SCHEMBL3969378 0.77 DPP4 (0.51) DPP4FAP
SCHEMBL3967774 0.77 DPP4 (0.53) DPP4CYP3A4FAP
SCHEMBL3968988 0.77 DPP4 (0.62) DPP4
SCHEMBL3970033 0.77 DPP4 (0.58) DPP4FAP

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-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP disclosed