SCHEMBL7306602

SCHEMBL7306602

CCOC(=O)CCCCCOc1c(F)ccc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 2/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 5/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
LTA4H P09960 3/20 0.36
MITF O75030 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35

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
SCHEMBL7313402 0.96 TNF (0.39) TNFALDH1A1TDP1CYP3A4MAPK1
SCHEMBL7312705 0.86 TNF (0.39) TNFALDH1A1TDP1CYP3A4ALOX15
SCHEMBL7307997 0.85 THRB (0.41) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7310193 0.84 THRB (0.40) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7310184 0.84 GRIN2D (0.33) ALDH1A1MAPTL3MBTL1GRIN2DGRIN3B
SCHEMBL18554129 0.84 TNF (0.48) TNFALDH1A1TDP1CYP3A4ALOX15
SCHEMBL7310260 0.83 TNF (0.39) TNFALDH1A1TDP1CYP3A4MAPK1
SCHEMBL7317297 0.81 FFAR4 (0.39) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7320513 0.81 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL7307828 0.80 FFAR4 (0.39) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A

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