SCHEMBL8564457

SCHEMBL8564457

CC(C)(N)C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
POLB P06746 2/20 0.64
OPRM1 P35372 2/20 0.64
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
OPRD1 P41143 1/20 0.64
KCNH2 Q12809 6/20 0.62
KDM4E B2RXH2 4/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 3/20 0.56
PRKD3 O94806 1/20 0.56
ALOX15 P16050 1/20 0.56
CLK2 P49760 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TOP2A P11388 6/20 0.54
TOP2B Q02880 6/20 0.54
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8564452 1.00 ALDH1A1 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8568279 0.92 ALDH1A1 (0.77) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8568284 0.92 ALDH1A1 (0.77) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8564594 0.92 ALDH1A1 (0.77) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8567510 0.91 ALDH1A1 (0.60) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8567513 0.91 ALDH1A1 (0.60) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8568550 0.90 KCNH2 (0.75) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8568549 0.90 KCNH2 (0.75) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8568559 0.90 KCNH2 (0.75) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9690912 0.88 KCNH2 (0.49) ALDH1A1POLBOPRM1CHRM2CHRM1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207420-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-05-06 EP claimed
US-5098912-A Bactericides for grampositive bacteria DAIICHI SEIYAKU CO., LTD. (JP) 1992-03-24 US claimed
EP-0207420-A2 Pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1987-01-07 EP claimed
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 EP disclosed
US-5476950-A Aminopyrrolidine compound DAIICHI SEIYAKU CO., LTD. (JP) 1995-12-19 US disclosed
US-5416222-A Chemical intermediates to prepare pyridinocarboxylic acid derivatives with high antimicrobial activity and excellent pharmacokinetics DAIICHI SEIYAKU CO., LTD. (JP) 1995-05-16 US disclosed
US-5380874-A Pyrrolidine carbamates DAIICHI SEIYAKU CO., LTD. (JP) 1995-01-10 US disclosed
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 US disclosed
US-5278317-A Aminomethylpyrrole WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
EP-0559752-A1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP disclosed
WO-1992009597-A1 OPTICAL ISOMERS OF 7-[3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed
EP-0207420-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-05-06 EP disclosed
US-5098912-A Bactericides for grampositive bacteria DAIICHI SEIYAKU CO., LTD. (JP) 1992-03-24 US disclosed
EP-0207420-A2 Pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1987-01-07 EP disclosed