SCHEMBL6213637

SCHEMBL6213637

CC1CC2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)CC2N1.CC1CC2CNCC2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 6/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNH2 Q12809 5/20 0.42
POLB P06746 3/20 0.42
OPRM1 P35372 2/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CACNA1F O60840 1/20 0.37
MAPK1 P28482 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
CHRM2 P08172 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
Hydrochloric Acid SCHEMBL6212419 0.94 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL8802928 0.90 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL6214356 0.89 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL6210926 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL8801311 0.85 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL6211002 0.84 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9636639 0.83 MEN1 (0.55) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL6213634 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL8741037 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL6210301 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10MEN1

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-0757990-B1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER HEALTHCARE AG (DE) 2005-03-30 EP disclosed
EP-0350733-B1 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1997-08-20 EP disclosed
EP-0757990-A1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1997-02-12 EP disclosed
EP-0350733-A2 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1990-01-17 EP disclosed