SCHEMBL3203686

SCHEMBL3203686

CC(C)(C)OC(=O)NC1CN(CCc2ccccc2)CC12CC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 2/20 0.44
KCNA3 P22001 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
OPRM1 P35372 2/20 0.39
HTR2A P28223 1/20 0.39
SSTR4 P31391 1/20 0.39
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL8775660 0.89 KMT2A (0.51) SIGMAR1KMT2AL3MBTL1DRD2KCNA3
SCHEMBL9245843 0.89 KMT2A (0.51) SIGMAR1KMT2AL3MBTL1DRD2KCNA3
SCHEMBL16472447 0.85 KMT2A (0.52) SIGMAR1KMT2AL3MBTL1KCNA3NPFFR1
SCHEMBL12492872 0.85 KMT2A (0.52) SIGMAR1KMT2AL3MBTL1KCNA3NPFFR1
SCHEMBL12492873 0.85 KMT2A (0.52) SIGMAR1KMT2AL3MBTL1KCNA3NPFFR1
SCHEMBL31250594 0.80 CTSK (0.36) SIGMAR1KMT2ADRD2KCNA3CTSK
SCHEMBL15147400 0.80 KMT2A (0.48) SIGMAR1KMT2AL3MBTL1KCNA3CTSS
SCHEMBL31634703 0.79 PDE4B (0.47) KMT2AL3MBTL1CTSK
SCHEMBL30210320 0.79 PDE4B (0.47) KMT2AL3MBTL1CTSK
SCHEMBL31250555 0.78 DRD2 (0.36) SIGMAR1DRD2KCNA3CTSKSSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
EP-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP disclosed
US-6031102-A Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-02-29 US disclosed
EP-0341493-B1 Optically active pyridonecarboxylic acid derivatives DAIICHI SEIYAKU CO (JP) 1999-07-14 EP disclosed
EP-0529688-B1 Azaspiro(n,m)alkanes and diazaspiro(n,m)-alkanes DAIICHI SEIYAKU CO (JP) 1997-11-12 EP disclosed
US-5587386-A BACTERICIDES, MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0341493-A2 Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-11-15 EP disclosed