SCHEMBL9520487

SCHEMBL9520487

CO[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C[C@H]1N

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
CACNA1F O60840 1/20 0.61
MAPK1 P28482 1/20 0.61
CACNA1D Q01668 1/20 0.61
KCNH2 Q12809 1/20 0.61
CACNA1S Q13698 1/20 0.61
CACNA1C Q13936 1/20 0.61
GSK3B P49841 16/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TOP2A P11388 1/20 0.49
TOP2B Q02880 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48

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
SCHEMBL9520390 1.00 POLB (0.61) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9520477 1.00 POLB (0.61) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9520203 0.93 CACNA1F (0.70) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9520182 0.93 CACNA1F (0.70) POLBCACNA1FMAPK1CACNA1DKCNH2
SCHEMBL9520194 0.93 CACNA1F (0.70) POLBCACNA1FMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL10596367 0.92 CACNA1F (0.69) POLBCACNA1FMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL10595818 0.92 CACNA1F (0.69) POLBCACNA1FMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL9520121 0.92 CACNA1F (0.69) POLBCACNA1FMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL9520103 0.92 CACNA1F (0.69) POLBCACNA1FMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL9520115 0.92 CACNA1F (0.69) POLBCACNA1FMAPK1CACNA1DKCNH2

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-0347851-B1 Quinolonecarboxylic acids SHIONOGI & CO (JP) 1993-11-10 EP claimed
EP-0347851-A1 Quinolonecarboxylic acids SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1989-12-27 EP claimed
EP-0347851-B1 Quinolonecarboxylic acids SHIONOGI & CO (JP) 1993-11-10 EP disclosed
US-5106854-A Bactericides SHIONOGI & CO., LTD. (JP) 1992-04-21 US disclosed