SCHEMBL3363284

SCHEMBL3363284

COc1cc2c(Nc3nc(C)cs3)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPKAPK2 P49137 2/20 0.36
ABCB1 P08183 2/20 0.36
PDE10A Q9Y233 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
GCK P35557 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL3361815 0.88 LMNA (0.46) DPP4MAPTGAAHPGDSMN1; SMN2
SCHEMBL3362364 0.87 ABCB1 (0.40) DPP4MAPTALDH1A1GAAHPGD
SCHEMBL3361170 0.86 RAB9A (0.44) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL8358599 0.81 GAA (0.48) DPP4MAPTALDH1A1GAAHPGD
SCHEMBL3361757 0.79 DPP4 (0.52) DPP4MAPTALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL3361140 0.78 DPP4 (0.54) DPP4MAPTALDH1A1GAAHPGD
SCHEMBL3361992 0.77 DPP4 (0.50) DPP4ALDH1A1GAAMAPKAPK2PDE10A
SCHEMBL3364042 0.76 DPP4 (0.44) DPP4MAPTALDH1A1GAAHPGD
SCHEMBL3363973 0.76 DPP4 (0.43) DPP4MAPKAPK2
SCHEMBL3365213 0.75 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 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