SCHEMBL8553398

SCHEMBL8553398

CC(=O)N1CCN(c2cc3c(c(C)c2F)c(=O)c(C(=O)O)cn3C2CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 4/20 0.69
KCNH2 Q12809 1/20 0.69
HRH3 Q9Y5N1 1/20 0.69
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 1/20 0.52
PIK3CG P48736 7/20 0.50
PIK3CD O00329 5/20 0.50
PIK3R1 P27986 5/20 0.50
PIK3CA P42336 5/20 0.50
TOP2A P11388 3/20 0.50
TOP2B Q02880 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8556904 0.90 KCNH2 (0.71) KDM4EALDH1A1KCNH2HRH3LMNA
SCHEMBL8118056 0.89 KCNH2 (0.72) KDM4EALDH1A1KCNH2HRH3LMNA
SCHEMBL8102541 0.89 KCNH2 (0.72) KDM4EALDH1A1KCNH2HRH3LMNA
SCHEMBL8111734 0.88 KCNH2 (0.71) KDM4EALDH1A1KCNH2HRH3LMNA
SCHEMBL8554680 0.87 KCNH2 (0.79) KDM4EALDH1A1KCNH2HRH3LMNA
SCHEMBL8557535 0.87 KCNH2 (0.70) KDM4EALDH1A1KCNH2HRH3LMNA
SCHEMBL8199125 0.83 KCNH2 (0.74) KDM4EALDH1A1KCNH2HRH3LMNA
SCHEMBL8110519 0.83 KCNH2 (0.73) KDM4EALDH1A1KCNH2HRH3LMNA
SCHEMBL8102436 0.83 KCNH2 (0.70) KDM4EALDH1A1KCNH2HRH3LMNA
SCHEMBL8116937 0.82 KCNH2 (0.72) KDM4EALDH1A1KCNH2HRH3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811576-A 1-CARBOXY-2-LOWERALKYL-3,4,6-TRI(HALO)BENZENES; GRAMPOSITIVE AND-NEGATIVE BACTERIA; INFECTIONS; STERILIZATION OF MEDICAL EQUIPMENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-09-22 US disclosed
US-5723648-A Intermediates for anti-microbial benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 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-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP 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