SCHEMBL9216283

SCHEMBL9216283

C[C@@H]1[C@@H](N)CN1c1nc2c(cc1F)c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.51
CHRM2 P08172 2/20 0.47
DRD1 P21728 1/20 0.47
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ABCC4 O15439 1/20 0.44
KMT2A Q03164 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
DHFR P00374 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
SCHEMBL9217626 1.00 DPP4 (0.51) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9146813 0.88 DPP4 (0.65) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9146820 0.88 DPP4 (0.65) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9146376 0.88 DPP4 (0.65) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9215206 0.84 LMNA (0.41) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10757394 0.84 DPP4 (0.48) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9212274 0.83 EPHA2 (0.57) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9838693 0.83 DPP4 (0.45) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9668903 0.82 DPP4 (0.47) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9645658 0.82 KMT2A (0.56) DPP4CHRM2DRD1KDM4ELMNA

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-0388298-B1 Derivatives of pyridone carboxylic acids substituted by an azetidine, their preparation and their use as medicines ESTEVE LABOR DR (ES) 1995-06-21 EP claimed