SCHEMBL7501170

SCHEMBL7501170

COC1CNCC1NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.54
ALDH1A1 P00352 2/20 0.49
HTR2C P28335 1/20 0.49
GAA P10253 1/20 0.49
NAAA Q02083 1/20 0.47
TSHR P16473 1/20 0.47
REN P00797 1/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX1 P07099 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL30400185 0.89 CPB1 (0.54) CPB1ALDH1A1HTR2CGAANAAA
SCHEMBL2823788 0.89 CPB1 (0.54) CPB1ALDH1A1HTR2CGAANAAA
SCHEMBL30401008 0.89 CPB1 (0.54) CPB1ALDH1A1HTR2CGAANAAA
SCHEMBL5227905 0.89 CPB1 (0.54) CPB1ALDH1A1HTR2CGAANAAA
Hydrochloric Acid SCHEMBL2823828 0.88 CPB1 (0.53) CPB1ALDH1A1HTR2CGAANAAA
SCHEMBL7500844 0.88 CPB1 (0.50) CPB1ALDH1A1HTR2CGAANAAA
SCHEMBL30792671 0.86 CPB1 (0.48) CPB1ALDH1A1HTR2CGAANAAA
SCHEMBL4574419 0.85 CPB1 (0.63) CPB1ALDH1A1GAATSHRCYP3A4
SCHEMBL20749075 0.83 CPB1 (0.58) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL19630135 0.83 CPB1 (0.58) CPB1ALDH1A1GAATSHREPHX1

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 7 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
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed