SCHEMBL9686897

SCHEMBL9686897

CN1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(OC(=O)O)cn3C2CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.37
DPP4 P27487 5/20 0.37
SIRT6 Q8N6T7 3/20 0.36
CHRM2 P08172 1/20 0.36
DRD1 P21728 1/20 0.36
HTR6 P50406 1/20 0.36
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ABCC4 O15439 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
WEE1 P30291 1/20 0.34
DHFR P00374 1/20 0.34

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
SCHEMBL9687532 0.89 CYP2C9 (0.39) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9686893 0.88 DPP4 (0.46) CSF1RDPP4CHRM2DRD1PIK3CD
SCHEMBL9687780 0.85 DPP4 (0.40) CSF1RDPP4CHRM2DRD1KDM4E
SCHEMBL10378901 0.85 DPP4 (0.49) DPP4CHRM2DRD1KDM4EABCC4
Hydrochloric Acid SCHEMBL10916126 0.84 DPP4 (0.49) DPP4CHRM2DRD1KDM4EABCC4
Hydrochloric Acid SCHEMBL9687485 0.84 DPP4 (0.40) CSF1RDPP4CHRM2DRD1KDM4E
SCHEMBL10552600 0.81 DPP4 (0.44) CSF1RDPP4SIRT6CHRM2DRD1
SCHEMBL10552609 0.79 CSF1R (0.40) CSF1RDPP4SIRT6PIK3CGKDM4E
SCHEMBL9687524 0.77 LMNA (0.51) DPP4CHRM2DRD1PIK3CDPIK3R1
SCHEMBL9687605 0.76 KDM4E (0.51) DPP4CHRM2DRD1PIK3CDPIK3R1

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