SCHEMBL7313402

SCHEMBL7313402

CCOC(=O)CCCOc1c(F)ccc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MITF O75030 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LTA4H P09960 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL7306602 0.96 TNF (0.38) TNFMAPTKDM4EALOX5APFEN1
SCHEMBL7310260 0.87 TNF (0.39) TNFMAPTKDM4EL3MBTL1MITF
SCHEMBL7317297 0.85 FFAR4 (0.39) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7307828 0.84 FFAR4 (0.39) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7307818 0.84 GRIN2D (0.34) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7312705 0.83 TNF (0.39) TNFMAPTKDM4EL3MBTL1MITF
SCHEMBL7307272 0.82 BRD4 (0.39) TNFMAPTKDM4EALDH1A1LTA4H
SCHEMBL7310206 0.82 MAPT (0.43) TNFMAPTKDM4EALOX5APFEN1
SCHEMBL7307997 0.81 THRB (0.41) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18554129 0.80 TNF (0.48) TNFMAPTKDM4EL3MBTL1ALDH1A1

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-0116948-B1 (2-OXO-1,2,3,5-TETRAHYDROIMIDAZO-(2,1-B)QUINAZOLINYL)-OXYALKYL-AMIDES SYNTEX (U.S.A.) INC. (US) 1990-01-03 EP disclosed
US-4690925-A ANTITHROMBOTIC ACTIVITY, CARDIOTONIC AGENTS SYNTEX (U.S.A.) INC. (US) 1987-09-01 US disclosed
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed
US-4663320-A ANTITUMOR AGENTS, ANTICOAGULANTS SYNTEX (U.S.A.) INC. (US) 1987-05-05 US disclosed
US-4551459-A Method of treating heart failure using (2-oxo-1,2,3,5-tetrahydroimidazo-[2,1-b]quinazolinyl)oxyalkylamides SYNTEX (U.S.A.) INC. (US) 1985-11-05 US disclosed
EP-0153152-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-/2,1-b/quinnazolinyl)-oxyalkylamides, their preparation, compositions containing them and their use in making medicaments SYNTEX (U.S.A.) INC. (US) 1985-08-28 EP disclosed
US-4490371-A ANTICOAGULANTS, PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1984-12-25 US disclosed
EP-0116948-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-(2,1-b)quinazolinyl)-oxyalkyl-amides SYNTEX (U.S.A.) INC. (US) 1984-08-29 EP disclosed