SCHEMBL3360972

SCHEMBL3360972

COc1cc2c(C(=O)N3CCCC3)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
DPP4 P27487 6/20 0.42
LPAR5 Q9H1C0 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
LRRK2 Q5S007 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL3364123 0.85 KDM4E (0.48) KMT2AMEN1HPGDL3MBTL1HSD17B10
SCHEMBL3365213 0.84 DPP4 (0.47) DPP4
SCHEMBL3361923 0.81 DPP4 (0.64) DPP4TP53
SCHEMBL3361983 0.80 DPP4 (0.56) DPP4
SCHEMBL7720666 0.80 DPP4 (0.61) KMT2AMEN1DPP4HPGDL3MBTL1
Hydrochloric Acid SCHEMBL3362783 0.79 DPP4 (0.62) KMT2AMEN1DPP4HPGDL3MBTL1
SCHEMBL3363973 0.79 DPP4 (0.43) DPP4
SCHEMBL3361990 0.78 DPP4 (0.44) DPP4
SCHEMBL3365143 0.77 PDE10A (0.51) KMT2AMEN1DPP4TP53HPGD
SCHEMBL3361880 0.76 DPP4 (0.47) 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 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