SCHEMBL9687605

SCHEMBL9687605

CC(=O)N1CCN(c2nc3c(cc2F)c(=O)c(OC(=O)O)cn3C2CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
DPP4 P27487 6/20 0.48
CHRM2 P08172 1/20 0.47
DRD1 P21728 1/20 0.47
LMNA P02545 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ABCC4 O15439 1/20 0.45
DHFR P00374 1/20 0.44
CYP2C9 P11712 1/20 0.42
ATP6V1B2 P21281 1/20 0.42
TBXA2R P21731 1/20 0.42
EDNRA P25101 1/20 0.42
TARBP2 Q15633 1/20 0.42
KMT2A Q03164 1/20 0.39
PIK3CG P48736 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37

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
SCHEMBL10378901 0.90 DPP4 (0.49) KDM4EALDH1A1DPP4CHRM2DRD1
Hydrochloric Acid SCHEMBL10916126 0.90 DPP4 (0.49) KDM4EALDH1A1DPP4CHRM2DRD1
SCHEMBL10377709 0.89 DPP4 (0.51) KDM4EALDH1A1DPP4CHRM2DRD1
SCHEMBL10377270 0.88 DPP4 (0.50) KDM4EALDH1A1DPP4CHRM2DRD1
SCHEMBL10377338 0.88 DPP4 (0.50) KDM4EALDH1A1DPP4CHRM2DRD1
SCHEMBL9687603 0.87 KDM4E (0.66) KDM4EALDH1A1DPP4CHRM2DRD1
Hydrochloric Acid SCHEMBL9686519 0.87 DPP4 (0.47) KDM4EALDH1A1DPP4CHRM2DRD1
Hydrochloric Acid SCHEMBL9686908 0.87 LMNA (0.51) KDM4EALDH1A1DPP4CHRM2DRD1
SCHEMBL9686428 0.87 DPP4 (0.49) KDM4EALDH1A1DPP4CHRM2DRD1
SCHEMBL9687448 0.87 LMNA (0.55) KDM4EALDH1A1DPP4CHRM2DRD1

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