SCHEMBL8230451

SCHEMBL8230451

Cn1c(=O)c2c(c(N)c(N3CCNCC3)n2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.62
KCNH2 Q12809 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA2B P29275 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL8237262 0.84 DPP4 (0.68) DPP4KCNH2L3MBTL1
SCHEMBL8239570 0.83 DPP4 (0.62) DPP4L3MBTL1ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL4225083 0.83 DPP4 (0.67) DPP4KCNH2L3MBTL1
SCHEMBL8240496 0.82 DPP4 (0.54) DPP4KCNH2L3MBTL1ALDH1A1TSHR
SCHEMBL8239848 0.81 DPP4 (0.61) DPP4KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL4225103 0.81 DPP4 (0.53) DPP4KCNH2L3MBTL1ALDH1A1TSHR
SCHEMBL8237497 0.81 DPP4 (0.76) DPP4KCNH2ALDH1A1TSHRMAPK1
SCHEMBL8230984 0.81 DPP4 (0.69) DPP4KCNH2
Hydrochloric Acid SCHEMBL4220187 0.80 DPP4 (0.68) DPP4KCNH2
SCHEMBL13780196 0.78 DPP4 (0.52) DPP4KCNH2L3MBTL1ALDH1A1TSHR

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
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed