SCHEMBL5038375

SCHEMBL5038375

CC(C)(C)c1c(Br)c(=O)nc(N2CCC[C@@H](N)C2)n1Cc1ccccc1C#N

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.75
CYP3A4 P08684 4/20 0.63

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
SCHEMBL3394137 0.86 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3394135 0.86 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3387903 0.83 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3387907 0.83 DPP4 (1.00) DPP4CYP3A4
SCHEMBL8295994 0.81 DPP4 (0.81) DPP4CYP3A4
SCHEMBL13490156 0.79 DPP4 (0.83) DPP4
SCHEMBL3392378 0.79 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3392381 0.79 DPP4 (1.00) DPP4CYP3A4
SCHEMBL16143497 0.78 DPP4 (0.71) DPP4CYP3A4
SCHEMBL16143613 0.78 DPP4 (0.71) DPP4CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911754-A1 Dipeptidyl peptidase inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP claimed
EP-1911754-A1 Dipeptidyl peptidase inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed