SCHEMBL7720720

SCHEMBL7720720

COc1cc2c(NC(=O)N3CCOCC3)cnc(CN)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.59
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL7716807 0.88 DPP4 (0.60) DPP4LMNA
SCHEMBL8360050 0.86 DPP4 (0.61) DPP4SMN1; SMN2
SCHEMBL3361967 0.81 DPP4 (0.63) DPP4SMN1; SMN2
SCHEMBL7716813 0.80 DPP4 (0.53) DPP4
SCHEMBL3363173 0.72 DPP4 (0.61) DPP4
SCHEMBL7723629 0.72 DPP4 (0.48) DPP4SMN1; SMN2LMNARAB9A
SCHEMBL7720666 0.71 DPP4 (0.61) DPP4GAA
Hydrochloric Acid SCHEMBL3362783 0.70 DPP4 (0.62) DPP4GAA
SCHEMBL3362038 0.69 DPP4 (0.57) DPP4SMN1; SMN2
SCHEMBL3360594 0.68 DPP4 (0.71) 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 2 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 disclosed
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed