SCHEMBL3361845

SCHEMBL3361845

CCOC(=O)c1cnc(CN)c2cc(OC)c(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL3360594 0.83 DPP4 (0.71) DPP4
SCHEMBL5744977 0.83 DPP4 (0.70) DPP4LMNATP53MAPT
SCHEMBL11003403 0.83 DPP4 (0.70) DPP4LMNATP53MAPT
SCHEMBL3360815 0.82 DPP4 (1.00) DPP4MAPT
SCHEMBL5745244 0.80 DPP4 (0.66) DPP4MAPT
SCHEMBL5743641 0.80 DPP4 (0.66) DPP4LMNATP53MAPT
SCHEMBL13792321 0.80 DPP4 (1.00) DPP4
SCHEMBL5744663 0.79 DPP4 (0.65) DPP4LMNATP53MAPT
SCHEMBL5745762 0.79 DPP4 (0.65) DPP4LMNATP53MAPT
Hydrochloric Acid SCHEMBL29356163 0.79 DPP4 (1.00) 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 3 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
US-7732446-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-08 US disclosed