SCHEMBL3179986

SCHEMBL3179986

CC1C(=O)N(Cc2ccccc2)CC1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.52
BRD4 O60885 2/20 0.48
PREP P48147 2/20 0.46
ACE P12821 1/20 0.46
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
GRM2 Q14416 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL10375649 0.85 CCKBR (0.45) CCKBRBRD4PREPACEKMT2A
SCHEMBL3203712 0.84 ALDH1A1 (0.46) BRD4KMT2AMEN1HPGDTSHR
SCHEMBL4920256 0.83 CCKBR (0.53) CCKBRBRD4PREPACEKMT2A
SCHEMBL7020611 0.83 CCKBR (0.53) CCKBRBRD4PREPACEKMT2A
SCHEMBL13484174 0.81 HPGD (0.47) BRD4PREPKMT2AMEN1HPGD
SCHEMBL20875929 0.81 CCKBR (0.51) CCKBRBRD4PREPACEKMT2A
SCHEMBL9766998 0.80 HPGD (0.46) BRD4PREPKMT2APOLBCYP2D6
SCHEMBL15488963 0.79 HPGD (0.55) KMT2AHPGDTSHRSMN1; SMN2
SCHEMBL30216631 0.79 CA1 (0.56) KMT2APOLBMEN1SMN1; SMN2
SCHEMBL3201676 0.78 DPP4 (0.50) BRD4PREPACEKMT2AMEN1

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 5 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
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
US-6031102-A Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-02-29 US disclosed
US-5767127-A BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-16 US disclosed
US-5587386-A BACTERICIDES, MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed