SCHEMBL9686893

SCHEMBL9686893

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.46
CHRM2 P08172 1/20 0.44
DRD1 P21728 1/20 0.44
PIK3CD O00329 2/20 0.44
PIK3R1 P27986 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CG P48736 2/20 0.44
DHFR P00374 1/20 0.42
CSF1R P07333 2/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 2/20 0.42
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL10552600 0.92 DPP4 (0.44) DPP4CHRM2DRD1PIK3CDPIK3R1
SCHEMBL9687524 0.89 LMNA (0.51) DPP4CHRM2DRD1PIK3CDPIK3R1
SCHEMBL9686897 0.88 CSF1R (0.37) DPP4CHRM2DRD1PIK3CDPIK3R1
SCHEMBL10377610 0.84 DPP4 (0.62) DPP4CHRM2DRD1DHFRKDM4E
SCHEMBL9687767 0.84 DPP4 (0.51) DPP4CHRM2DRD1DHFRCSF1R
Hydrochloric Acid SCHEMBL10551866 0.83 DPP4 (0.61) DPP4CHRM2DRD1DHFRKDM4E
Hydrochloric Acid SCHEMBL10551772 0.83 DPP4 (0.51) DPP4CHRM2DRD1DHFRCSF1R
SCHEMBL10552609 0.83 CSF1R (0.40) DPP4PIK3CGCSF1RKDM4EMAPT
SCHEMBL11020756 0.81 DPP4 (0.59) DPP4CHRM2DRD1DHFRKDM4E
SCHEMBL9687532 0.77 CYP2C9 (0.39) 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