SCHEMBL8560156

SCHEMBL8560156

CCCCCCN1CCC[N]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.38
GNAO1 P09471 3/20 0.38
GNAI1 P63096 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 2/20 0.36
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TBXAS1 P24557 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
GUSB P08236 1/20 0.33
S1PR4 O95977 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL8557574 0.98 ALDH1A1 (0.36) GNAI3GNAO1GNAI1ALDH1A1ALOX5
SCHEMBL1145084 0.94
SCHEMBL3556221 0.85 L3MBTL1 (0.34) ALDH1A1MEN1KMT2ATSHR
SCHEMBL1145141 0.82
SCHEMBL21269962 0.69 HRH3 (0.67) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL14840020 0.67 HRH3 (0.71) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL7478832 0.66 HRH3 (0.62) GNAI3GNAO1GNAI1EBPSIGMAR1
SCHEMBL4907893 0.66 HRH3 (0.70) GNAI3GNAO1GNAI1EBPSIGMAR1
SCHEMBL22121638 0.66 HRH3 (0.62) GNAI3GNAO1GNAI1EBPSIGMAR1
SCHEMBL1262700 0.66 HRH3 (0.70) GNAI3GNAO1GNAI1EBPSIGMAR1

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 10 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-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US 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
CN-1030237-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1989-01-11 CN 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