SCHEMBL3363889

SCHEMBL3363889

COc1cc(OC)c2c(CN)ncc(C(=O)N(C)Cc3ccccc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.59
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.46
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RXFP1 Q9HBX9 2/20 0.42
DYRK1A Q13627 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B2 P37059 2/20 0.41
HSD17B1 P14061 1/20 0.41
CLK1 P49759 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3363205 0.91 DPP4 (0.56) DPP4HPGDGAAHTTMAPK1
Hydrochloric Acid SCHEMBL3366027 0.90 DPP4 (0.56) DPP4HPGDGAAHTTMAPK1
SCHEMBL3361355 0.88 DPP4 (0.55) DPP4ROCK2ROCK1MEN1KMT2A
SCHEMBL7716792 0.85 DPP4 (0.56) DPP4HPGDGAAHTTROCK2
SCHEMBL7720962 0.84 DPP4 (0.49) DPP4GAAHTTROCK2ROCK1
Hydrochloric Acid SCHEMBL3360508 0.84 DPP4 (0.56) DPP4HPGDGAAHTTROCK2
SCHEMBL3365615 0.83 DPP4 (0.41) DPP4HPGDGAAHTTROCK2
SCHEMBL3365084 0.83 DPP4 (0.57) DPP4
Hydrochloric Acid SCHEMBL3366032 0.82 DPP4 (0.58) DPP4
Hydrochloric Acid SCHEMBL3365053 0.82 DPP4 (0.55) DPP4GAAMEN1KMT2A

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