SCHEMBL7314738

SCHEMBL7314738

CCOC(=O)CCCCOc1cc(Cl)c([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.40
LTA4H P09960 5/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.38
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
L3MBTL1 Q9Y468 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
SCHEMBL7313997 0.97 FBP1 (0.41) FBP1LTA4HALDH1A1CYP3A4TDP1
SCHEMBL7319384 0.88 MAPT (0.40) LTA4HALDH1A1CYP3A4TDP1ALOX15
SCHEMBL7316071 0.86 ALDH1A1 (0.47) FBP1ALDH1A1CYP3A4TDP1HSD17B10
SCHEMBL7310233 0.85 PDK2 (0.40) CYP2C9PDK2
SCHEMBL7309678 0.85 THRB (0.34) FBP1ALDH1A1TSHRMAPTLMNA
Hydrochloric Acid SCHEMBL7309684 0.84 PDK2 (0.39) CYP2C9PDK2THRB
SCHEMBL7307272 0.83 BRD4 (0.39) FBP1LTA4HALDH1A1CYP3A4TDP1
SCHEMBL7306070 0.83 CYP4Z1 (0.39) FBP1ALDH1A1CYP3A4TDP1ALOX15
SCHEMBL7306516 0.82 MAPT (0.41) LTA4HALDH1A1CYP3A4TDP1ALOX15
SCHEMBL7307867 0.82 MAPT (0.34) FBP1ALDH1A1TSHRMAPTLMNA

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