SCHEMBL13611775

SCHEMBL13611775

CN[C@@H]1CCN(C(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)C1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.83
DPP8 Q6V1X1 19/20 0.83
DPP9 Q86TI2 18/20 0.83

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
SCHEMBL8258611 0.92 DPP4 (0.81) DPP4DPP8DPP9
SCHEMBL8256429 0.92 DPP4 (0.81) DPP4DPP8DPP9
SCHEMBL13605162 0.91 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL13605070 0.91 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL8259119 0.87 DPP4 (0.74) DPP4DPP8DPP9
SCHEMBL8259687 0.87 DPP4 (0.74) DPP4DPP8DPP9
SCHEMBL8258358 0.86 DPP4 (0.81) DPP4DPP8DPP9
SCHEMBL8260586 0.86 DPP4 (0.81) DPP4DPP8DPP9
SCHEMBL8259030 0.85 DPP4 (0.96) DPP4DPP8DPP9
SCHEMBL8254459 0.85 DPP4 (1.00) DPP4DPP8DPP9

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-7635699-B2 Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-22 US disclosed