SCHEMBL9022992

SCHEMBL9022992

Cc1c(N2CCC(N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.64
POLB P06746 2/20 0.64
CACNA1F O60840 1/20 0.64
MAPK1 P28482 1/20 0.64
CACNA1D Q01668 1/20 0.64
CACNA1S Q13698 1/20 0.64
CACNA1C Q13936 1/20 0.64
ALDH1A1 P00352 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
OPRM1 P35372 1/20 0.59
OPRD1 P41143 1/20 0.59
GSK3B P49841 10/20 0.56
TOP2A P11388 2/20 0.55
TOP2B Q02880 2/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RPS6KB1 P23443 1/20 0.48
MATK P42679 1/20 0.48
DYRK1A Q13627 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
SCHEMBL9022766 1.00 KCNH2 (0.64) KCNH2POLBCACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9023576 0.99 KCNH2 (0.63) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8922019 0.94 POLB (0.72) KCNH2POLBCACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9368352 0.92 POLB (0.69) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8111877 0.92 POLB (0.61) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8559216 0.92 MEN1 (0.62) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL27508959 0.92 POLB (0.61) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL4372416 0.91 KCNH2 (0.62) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL4372419 0.91 KCNH2 (0.62) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL4379677 0.91 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641793-B1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU PHARMACEUTICAL (JP) 1996-10-23 EP claimed
EP-0641793-A1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-08 EP claimed
CN-1048242-C 5-amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative NORTHERN CONTINENTAL CO LTD (JP) 2000-01-12 CN disclosed
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
CN-1117491-A 5-amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative NORTHERN CONTINENTAL CO LTD (JP) 1996-02-28 CN disclosed
EP-0641793-A1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-08 EP disclosed