SCHEMBL9023210

SCHEMBL9023210

Cc1c(N2C[C@@H](C)[C@@H](N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.67
POLB P06746 2/20 0.67
CACNA1F O60840 1/20 0.67
MAPK1 P28482 1/20 0.67
CACNA1D Q01668 1/20 0.67
CACNA1S Q13698 1/20 0.67
CACNA1C Q13936 1/20 0.67
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GSK3B P49841 12/20 0.54
TOP2A P11388 2/20 0.54
TOP2B Q02880 2/20 0.54
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL8437288 1.00 KCNH2 (0.67) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9022918 1.00 KCNH2 (0.67) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL10576929 0.93 CACNA1F (0.77) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL10577833 0.93 CACNA1F (0.77) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL10577826 0.93 CACNA1F (0.77) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL4372419 0.93 KCNH2 (0.62) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL4372429 0.93 KCNH2 (0.62) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL4372416 0.93 KCNH2 (0.62) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL4379677 0.93 KCNH2 (0.62) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL4379673 0.93 KCNH2 (0.62) KCNH2POLBCACNA1FMAPK1CACNA1D

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
US-5547962-A QUINOLONE ANTIBIOTICS HORURIKU SEIYAKU CO., LTD. (JP) 1996-08-20 US claimed
EP-0641793-B1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU PHARMACEUTICAL (JP) 1996-10-23 EP disclosed
US-5547962-A QUINOLONE ANTIBIOTICS HORURIKU SEIYAKU CO., LTD. (JP) 1996-08-20 US disclosed
EP-0641793-A1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-08 EP disclosed