SCHEMBL7514353

SCHEMBL7514353

CCCCCCNC(=O)N1CC[N]CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
NAMPT P43490 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
EPHX1 P07099 6/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CASP2 P42575 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
EPHX2 P34913 1/20 0.43
ASAH1 Q13510 1/20 0.43

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
SCHEMBL7509981 0.98 HTT (0.57) HTTNAMPTTDP1EPHX1KMT2A
SCHEMBL7510181 0.93 HTT (0.63) HTTNAMPTTDP1KMT2AMEN1
SCHEMBL28165171 0.88 TDP1 (0.65) HTTNAMPTTDP1EPHX1KMT2A
SCHEMBL10739048 0.88 TDP1 (0.65) HTTNAMPTTDP1EPHX1KMT2A
SCHEMBL4285086 0.88 TDP1 (0.65) HTTNAMPTTDP1EPHX1KMT2A
SCHEMBL24176160 0.88 TDP1 (0.65) HTTNAMPTTDP1EPHX1KMT2A
SCHEMBL10739485 0.88 TDP1 (0.65) HTTNAMPTTDP1EPHX1KMT2A
SCHEMBL28273729 0.88 TDP1 (0.65) HTTNAMPTTDP1EPHX1KMT2A
SCHEMBL5238995 0.86 KMT2A (0.54) HTTTDP1KMT2AMEN1CNR1
SCHEMBL8395941 0.84 HTT (0.60) HTTNAMPTTDP1EPHX1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823413-B1 Intermediates for the preparation of benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2002-02-13 EP disclosed
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
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
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-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