SCHEMBL9686428

SCHEMBL9686428

O=CN1CCN(c2nc3c(cc2F)c(=O)c(OC(=O)O)cn3C2CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.49
CHRM2 P08172 1/20 0.46
DRD1 P21728 1/20 0.46
DHFR P00374 1/20 0.44
LMNA P02545 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
ABCC4 O15439 1/20 0.43
CYP2C9 P11712 2/20 0.40
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 1/20 0.40
EDNRA P25101 1/20 0.40
TARBP2 Q15633 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
EPHA2 P29317 1/20 0.36
FLT4 P35916 1/20 0.36
GSK3B P49841 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
SCHEMBL10377709 0.89 DPP4 (0.51) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL10378901 0.89 DPP4 (0.49) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL10377338 0.88 DPP4 (0.50) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL10377270 0.88 DPP4 (0.50) DPP4CHRM2DRD1DHFRLMNA
Hydrochloric Acid SCHEMBL10916126 0.88 DPP4 (0.49) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL9686423 0.87 DPP4 (0.63) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL9687605 0.87 KDM4E (0.51) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL10377593 0.87 DPP4 (0.49) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL9687448 0.87 LMNA (0.55) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL10377831 0.87 DPP4 (0.49) DPP4CHRM2DRD1DHFRLMNA

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