SCHEMBL7849065

SCHEMBL7849065

C[C@]12CCN(c3nc4c(cc3F)c(=O)c(OC(=O)O)cn4C3CC3)C[C@H]1[C@H](N)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.50
CHRM2 P08172 2/20 0.46
DRD1 P21728 1/20 0.46
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ABCC4 O15439 1/20 0.43
KMT2A Q03164 1/20 0.41
DHFR P00374 1/20 0.38
EPHA2 P29317 1/20 0.37
FLT4 P35916 1/20 0.37
GSK3B P49841 1/20 0.37
RARB P10826 1/20 0.37
TBXAS1 P24557 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL7849224 1.00 DPP4 (0.50) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL6890151 0.93 DPP4 (0.51) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL7849076 0.93 DPP4 (0.51) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL7841226 0.93 DPP4 (0.51) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9066291 0.89 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL7849063 0.89 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL7849222 0.89 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9066288 0.89 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9067081 0.89 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8325099 0.84 DPP4 (0.50) DPP4CHRM2DRD1LMNAKDM4E

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
EP-0677050-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL JEDANG CORP (KR) 2001-08-16 EP claimed