SCHEMBL1387312

SCHEMBL1387312

NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.82
POLB P06746 2/20 0.82
OPRM1 P35372 2/20 0.82
CHRM2 P08172 1/20 0.82
CHRM1 P11229 1/20 0.82
OPRD1 P41143 1/20 0.82
KCNH2 Q12809 5/20 0.65
KDM4E B2RXH2 1/20 0.59
PRKD3 O94806 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
CLK2 P49760 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TOP2A P11388 10/20 0.57
TOP2B Q02880 8/20 0.57
PIM1 P11309 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56

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
SCHEMBL9416068 1.00 ALDH1A1 (0.82) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9416082 1.00 ALDH1A1 (0.82) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9416083 0.99 ALDH1A1 (0.80) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL8566510 0.99 ALDH1A1 (0.80) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9790188 0.94 ALDH1A1 (0.73) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9276870 0.94 ALDH1A1 (0.73) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9790131 0.94 ALDH1A1 (0.73) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9784578 0.94 ALDH1A1 (0.72) ALDH1A1POLBOPRM1CHRM2CHRM1
Water SCHEMBL9790126 0.93 ALDH1A1 (0.72) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9666037 0.93 ALDH1A1 (0.70) 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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775114-B1 PROCESS FOR MAKING ANTIMICROBIAL COMPOUNDS PROCTER & GAMBLE (US) 2000-03-22 EP claimed
JP-H10503521-A 1998-03-31 JP claimed
US-5703231-A Process for making antimicrobial compounds THE PROCTER & GAMBLE COMPANY (US) 1997-12-30 US claimed
EP-0698022-B1 1,4-BENZOXAZINE DERIVATIVES AS POTASSIUM CHANNEL OPENERS ZENECA LTD (GB) 1997-09-17 EP claimed
CN-1159809-A Process for making quinolonyl lactam antimicrobials and novel intermediate compounds PROCTER & GAMBLE (US) 1997-09-17 CN claimed
EP-0775145-A1 PROCESS FOR MAKING QUINOLONYL LACTAM ANTIMICROBIALS AND NOVEL INTERMEDIATE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1997-05-28 EP claimed
EP-0775114-A1 PROCESS FOR MAKING ANTIMICROBIAL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1997-05-28 EP claimed
EP-0606336-B1 PROCESS FOR MAKING ANTIMICROBIAL QUINOLONYL LACTAMS PROCTER & GAMBLE PHARMA (US) 1997-03-19 EP claimed
WO-1996004247-A1 PROCESS FOR MAKING ANTIMICROBIAL COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-02-15 WO claimed
WO-1996004286-A1 PROCESS FOR MAKING QUINOLONYL LACTAM ANTIMICROBIALS AND NOVEL INTERMEDIATE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-02-15 WO claimed
EP-0200307-B1 IMPROVED PROCESS FOR PRODUCTION OF QUINOLINE-3-CARBOXYLIC ACID ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-12-20 EP claimed
US-4772706-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1988-09-20 US claimed
EP-0236673-A2 Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-09-16 EP claimed
EP-0235589-A2 Use of quinolone and naphthyridine antibiotics for the manufacture of ophthalmic medicaments WARNER-LAMBERT COMPANY (US) 1987-09-09 EP claimed
US-4692454-A Opthalmic use of quinolone antibiotics WARNER-LAMBERT COMPANY (US) 1987-09-08 US claimed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US claimed
EP-0200307-A1 Improved process for production of quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-05 EP claimed
EP-0198678-A2 A process for preparing substituted quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1986-10-22 EP claimed
US-4578473-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-03-25 US claimed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP claimed