SCHEMBL7500844

SCHEMBL7500844

COCOC1CNCC1NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.50
ALDH1A1 P00352 2/20 0.45
HTR2C P28335 1/20 0.45
GAA P10253 1/20 0.45
REN P00797 1/20 0.45
CYP3A4 P08684 1/20 0.45
AXL P30530 1/20 0.44
MERTK Q12866 1/20 0.44
NAAA Q02083 1/20 0.44
TSHR P16473 1/20 0.44
TACR1 P25103 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL7501170 0.88 CPB1 (0.54) CPB1ALDH1A1HTR2CGAAREN
SCHEMBL18270938 0.83 CPB1 (0.46) CPB1ALDH1A1HTR2CGAAAXL
SCHEMBL30792671 0.82 CPB1 (0.48) CPB1ALDH1A1HTR2CGAANAAA
SCHEMBL19083298 0.79 CPB1 (0.53) CPB1ALDH1A1HTR2CGAANAAA
SCHEMBL3219650 0.79 CPB1 (0.56) CPB1ALDH1A1HTR2CGAANAAA
SCHEMBL7500672 0.79 CPB1 (0.53) CPB1ALDH1A1HTR2CGAANAAA
SCHEMBL12225513 0.79 CPB1 (0.53) CPB1ALDH1A1HTR2CGAANAAA
SCHEMBL2826203 0.78 CPB1 (0.49) CPB1ALDH1A1GAANAAATSHR
SCHEMBL15251346 0.78 CPB1 (0.49) CPB1ALDH1A1GAANAAATSHR
SCHEMBL16727829 0.78 CPB1 (0.52) CPB1ALDH1A1HTR2CGAANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
EP-0723545-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-07-31 EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed