SCHEMBL7319384

SCHEMBL7319384

CCOC(=O)CCCCCOc1cc(C)c([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LTA4H P09960 4/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
NTSR1 P30989 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7314738 0.88 FBP1 (0.40) MAPTL3MBTL1LTA4HBRD4ALDH1A1
SCHEMBL7311187 0.87 MCL1 (0.43) MAPTTSHRFFAR1THRATHRB
Hydrochloric Acid SCHEMBL7305466 0.86 MCL1 (0.42) MAPTTSHRFFAR1THRATHRB
SCHEMBL7305457 0.86 MCL1 (0.36) MAPTL3MBTL1ALDH1A1TSHRCRHBP
SCHEMBL7313997 0.84 FBP1 (0.41) MAPTLTA4HBRD4ALDH1A1TDP1
SCHEMBL7307272 0.84 BRD4 (0.39) MAPTLTA4HBRD4ALDH1A1TDP1
SCHEMBL7315249 0.82 TNF (0.39) MAPTL3MBTL1LTA4HALDH1A1TDP1
SCHEMBL7308168 0.82 ALDH1A1 (0.47) MAPTL3MBTL1LTA4HBRD4ALDH1A1
SCHEMBL7312883 0.82 ALDH1A1 (0.47) MAPTL3MBTL1LTA4HBRD4ALDH1A1
SCHEMBL7320131 0.81 MAPT (0.43) MAPTL3MBTL1LTA4HBRD4ALDH1A1

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