SCHEMBL9046541

SCHEMBL9046541

CCOC(=O)c1cn(C2CC2)c2nc(N3CC4C=CCC(NC)C4C3)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
CHRM2 P08172 1/20 0.47
DRD1 P21728 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ABCC4 O15439 1/20 0.46
ADRB2 P07550 1/20 0.42
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
EPHA2 P29317 1/20 0.38
FLT4 P35916 1/20 0.38
GSK3B P49841 1/20 0.38
RARB P10826 1/20 0.38

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
SCHEMBL8091078 0.89 DPP4 (0.56) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9045946 0.87 DPP4 (0.43) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8083110 0.87 DPP4 (0.52) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9046856 0.85 DPP4 (0.46) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9045700 0.83 DPP4 (0.41) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10655952 0.82 DPP4 (0.50) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8083142 0.81 DPP4 (0.49) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL11000701 0.79 DPP4 (0.48) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10654892 0.79 DPP4 (0.58) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10653563 0.78 KMT2A (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed