SCHEMBL7307272

SCHEMBL7307272

CCOC(=O)CCCOc1cc(F)c([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
FBP1 P09467 1/20 0.39
LTA4H P09960 4/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NTSR1 P30989 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PDK2 Q15119 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
TNF P01375 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7312556 0.87 ALDH1A1 (0.47) FBP1MAPTALDH1A1LMNAHPGD
SCHEMBL7313997 0.87 FBP1 (0.41) BRD4FBP1LTA4HMAPTALDH1A1
SCHEMBL7317668 0.85 PDK2 (0.37) FBP1MAPTALDH1A1LMNAHPGD
SCHEMBL7307198 0.85 FFAR4 (0.40) MAPTALDH1A1
SCHEMBL7319384 0.84 MAPT (0.40) BRD4LTA4HMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL7317635 0.84 FFAR4 (0.40) MAPTALDH1A1
SCHEMBL7317632 0.84 MAPT (0.34) FBP1MAPTALDH1A1LMNANPC1
SCHEMBL7314738 0.83 FBP1 (0.40) BRD4FBP1LTA4HMAPTALDH1A1
SCHEMBL7313402 0.82 TNF (0.39) BRD4FBP1LTA4HMAPTALDH1A1
SCHEMBL7311993 0.80 SMN1; SMN2 (0.41) BRD4MAPTALDH1A1LMNAHPGD

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