SCHEMBL3363173

SCHEMBL3363173

COc1cc2c(NC(=O)N(C)CCN(C)C)cnc(CN)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.61
PDE10A Q9Y233 2/20 0.36

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
SCHEMBL3362038 0.83 DPP4 (0.57) DPP4
SCHEMBL3363084 0.80 DPP4 (0.53) DPP4
SCHEMBL3362033 0.77 DPP4 (0.58) DPP4
SCHEMBL3361700 0.77 DPP4 (0.57) DPP4PDE10A
SCHEMBL3361425 0.76 DPP4 (0.53) DPP4
SCHEMBL7716813 0.74 DPP4 (0.53) DPP4
SCHEMBL7716807 0.72 DPP4 (0.60) DPP4
SCHEMBL3363078 0.72 DPP4 (0.58) DPP4
SCHEMBL7720720 0.72 DPP4 (0.59) DPP4
SCHEMBL8360050 0.71 DPP4 (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US claimed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed