SCHEMBL9687428

SCHEMBL9687428

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.52
CHRM2 P08172 1/20 0.49
DRD1 P21728 1/20 0.49
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
ABCC4 O15439 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 2/20 0.42
KCNH2 Q12809 2/20 0.42
PRKD3 O94806 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C9 P11712 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
SCHEMBL9687790 0.90 KDM4E (0.51) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9669866 0.89 DPP4 (0.55) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9687424 0.87 DPP4 (0.66) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL10377709 0.85 DPP4 (0.51) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL9687448 0.85 LMNA (0.55) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL10378901 0.85 DPP4 (0.49) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL10377270 0.84 DPP4 (0.50) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL10377338 0.84 DPP4 (0.50) DPP4CHRM2DRD1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL10916126 0.84 DPP4 (0.49) DPP4CHRM2DRD1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL10915017 0.84 DPP4 (0.48) 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 3 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
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