SCHEMBL8922104

SCHEMBL8922104

CNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.66
ALDH1A1 P00352 6/20 0.59
POLB P06746 3/20 0.59
OPRM1 P35372 2/20 0.59
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
OPRD1 P41143 1/20 0.59
KDM4E B2RXH2 5/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
PRKD3 O94806 1/20 0.55
ALOX15 P16050 1/20 0.55
CLK2 P49760 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
LMNA P02545 2/20 0.54
TOP2A P11388 5/20 0.52
TOP2B Q02880 5/20 0.52
NPSR1 Q6W5P4 1/20 0.51
PMP22 Q01453 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
Hydrochloric Acid SCHEMBL10856738 0.99 KCNH2 (0.65) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10529369 0.92 KCNH2 (0.65) KCNH2ALDH1A1POLBOPRM1CHRM2
Pd-117558 SCHEMBL8922444 0.92 KCNH2 (0.65) KCNH2ALDH1A1POLBOPRM1CHRM2
Hydrochloric Acid SCHEMBL10529374 0.91 ALDH1A1 (0.70) KCNH2ALDH1A1POLBOPRM1CHRM2
Pd-117558 SCHEMBL10529381 0.91 KCNH2 (0.64) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9373032 0.90 KCNH2 (0.81) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10401506 0.90 KCNH2 (0.61) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10764195 0.90 KCNH2 (0.63) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9379634 0.90 KCNH2 (0.63) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10692692 0.90 KCNH2 (0.65) KCNH2ALDH1A1POLBOPRM1CHRM2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236673-B1 Process for quinoline-3-carboxylic acid antibacterial agents WARNER LAMBERT CO (US) 1994-07-13 EP claimed
EP-0235589-B1 USE OF QUINOLONE AND NAPHTHYRIDINE ANTIBIOTICS FOR THE MANUFACTURE OF OPHTHALMIC MEDICAMENTS WARNER-LAMBERT COMPANY (US) 1992-10-28 EP claimed
EP-0198678-B1 A PROCESS FOR PREPARING SUBSTITUTED QUINOLINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1991-08-21 EP 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-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US 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
US-5672600-A Antimicrobial dithiocarbamoyl quinolones THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed
US-5387748-A Antimicrobial dithiocarbamoyl quinolones PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-02-07 US disclosed
EP-0236673-B1 Process for quinoline-3-carboxylic acid antibacterial agents WARNER LAMBERT CO (US) 1994-07-13 EP disclosed
EP-0207420-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-05-06 EP disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
EP-0200307-A1 Improved process for production of quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-05 EP disclosed
EP-0198678-A2 A process for preparing substituted quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1986-10-22 EP disclosed
US-4578473-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-03-25 US disclosed
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 disclosed