SCHEMBL8306239

SCHEMBL8306239

Nc1ccccc1Cn1c(N2CC[C@@H](N)C2)nc2ccc(Br)cc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.71
CYP3A4 P08684 12/20 0.71

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
SCHEMBL8302314 0.94 DPP4 (0.79) DPP4CYP3A4
SCHEMBL3427217 0.88 DPP4 (0.90) DPP4CYP3A4
SCHEMBL3427216 0.88 DPP4 (0.90) DPP4CYP3A4
SCHEMBL3426273 0.83 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3426274 0.83 DPP4 (1.00) DPP4CYP3A4
SCHEMBL8306122 0.81 DPP4 (0.80) DPP4CYP3A4
SCHEMBL8306225 0.76 CYP3A4 (0.45) DPP4CYP3A4
SCHEMBL14439070 0.75 DPP4 (0.72) DPP4
SCHEMBL14439100 0.75 DPP4 (0.72) DPP4
SCHEMBL14569260 0.75 DPP4 (0.72) 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-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO disclosed