SCHEMBL7716787

SCHEMBL7716787

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 1.00
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3361885 0.81 DPP4 (0.67) DPP4PDE10AALDH1A1POLBHPGD
SCHEMBL3360594 0.80 DPP4 (0.71) DPP4
Hydrochloric Acid SCHEMBL3364779 0.80 DPP4 (0.68) DPP4PDE10AALDH1A1POLBHPGD
SCHEMBL3361845 0.79 DPP4 (1.00) DPP4
SCHEMBL7716544 0.74 DPP4 (0.65) DPP4
SCHEMBL7720666 0.73 DPP4 (0.61) DPP4HPGD
SCHEMBL3360544 0.73 DPP4 (0.61) DPP4PDE10A
Hydrochloric Acid SCHEMBL3362783 0.72 DPP4 (0.62) DPP4HPGD
Hydrochloric Acid SCHEMBL3369616 0.72 DPP4 (0.62) DPP4PDE10A
SCHEMBL3361983 0.72 DPP4 (0.56) DPP4PDE10A

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