SCHEMBL9047745

SCHEMBL9047745

NC1CC=CC2CN(c3nc4c(cc3F)c(=O)c(OC(=O)O)cn4C3CC3)CC12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.52
CHRM2 P08172 2/20 0.45
DRD1 P21728 1/20 0.45
EPHA2 P29317 1/20 0.42
FLT4 P35916 1/20 0.42
GSK3B P49841 1/20 0.42
RARB P10826 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL9046917 0.90 DPP4 (0.48) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL8083243 0.89 DPP4 (0.65) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9046856 0.88 DPP4 (0.46) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9046530 0.83 KDM4E (0.46) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9045603 0.83 ALDH1A1 (0.42) DPP4CHRM2LMNAKDM4EHSD17B10
SCHEMBL7850682 0.82 DPP4 (0.51) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9692906 0.82 DPP4 (0.47) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9046626 0.81 ALDH1A1 (0.53) DPP4CHRM2LMNAKDM4EHSD17B10
Hydrochloric Acid SCHEMBL9692856 0.81 DPP4 (0.47) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9645658 0.81 KMT2A (0.56) DPP4CHRM2DRD1EPHA2FLT4

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