SCHEMBL13484174

SCHEMBL13484174

CC1CN(Cc2ccccc2)C(=O)C1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
GRM2 Q14416 2/20 0.47
BRD4 O60885 1/20 0.46
PREP P48147 1/20 0.44
MAPT P10636 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
ALDH1A1 P00352 2/20 0.44
EHMT2 Q96KQ7 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL9766998 0.85 HPGD (0.46) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL3201676 0.83 DPP4 (0.50) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL3201687 0.83 DPP4 (0.50) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL27623771 0.83 BRD4 (0.47) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL3185962 0.83 DPP4 (0.50) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL9803156 0.81 HPGD (0.43) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL3179986 0.81 CCKBR (0.52) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL9803167 0.81 HPGD (0.43) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL9802568 0.81 HPGD (0.43) HPGDTSHRKMT2AMEN1GRM2
SCHEMBL9767456 0.81 HPGD (0.43) HPGDTSHRKMT2AMEN1GRM2

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 1 patent. 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