SCHEMBL9687424

SCHEMBL9687424

CC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC(C)N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.66
CHRM2 P08172 1/20 0.60
DRD1 P21728 1/20 0.60
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 2/20 0.56
ABCC4 O15439 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 2/20 0.52
KCNH2 Q12809 2/20 0.52
CACNA1F O60840 1/20 0.52
MAPK1 P28482 1/20 0.52
CACNA1D Q01668 1/20 0.52
CACNA1S Q13698 1/20 0.52
CACNA1C Q13936 1/20 0.52
PRKD3 O94806 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL9522864 0.90 DPP4 (0.68) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9687753 0.89 KDM4E (0.63) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL7503038 0.88 DPP4 (0.59) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL7503027 0.88 DPP4 (0.59) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9669861 0.88 DPP4 (0.68) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9687428 0.87 DPP4 (0.52) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9150328 0.87 DPP4 (0.67) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9522848 0.87 DPP4 (0.67) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8385866 0.86 DPP4 (0.74) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9148596 0.86 DPP4 (0.66) DPP4CHRM2DRD1KDM4EHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP claimed
EP-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 EP disclosed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP disclosed