SCHEMBL8557613

SCHEMBL8557613

Cc1c(F)c(N2CCNCC2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.55
HRH3 Q9Y5N1 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 3/20 0.49
CACNA1F O60840 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
TOP2A P11388 7/20 0.49
TOP2B Q02880 7/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
OPRM1 P35372 2/20 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
SCHEMBL8554756 0.92 MEN1 (0.61) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL8555655 0.91 KCNH2 (0.55) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL9088726 0.89 KCNH2 (0.54) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL8559736 0.89 MEN1 (0.51) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL8554461 0.89 KCNH2 (0.69) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL9837622 0.88 POLB (0.61) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL8557696 0.88 KCNH2 (0.53) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL10586117 0.87 ALDH1A1 (0.52) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL8552925 0.87 KCNH2 (0.57) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL9089131 0.87 KCNH2 (0.51) KCNH2HRH3MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2815119-B2 1998-10-27 JP claimed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP claimed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP claimed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO claimed
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO disclosed
US-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
US-5585491-A Antibacterial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-12-17 US disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP disclosed
US-4920120-A 3-CARBOXY, 4-OXO, 6-FLUORO, 7-NITROGEN-CONTAINING RING 1,4-DIHYDRO-1,8-NAPHTHYRIDINES WARNER-LAMBERT COMPANY (US) 1990-04-24 US disclosed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP disclosed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO disclosed
EP-0319906-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-14 EP disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed