SCHEMBL7312411

SCHEMBL7312411

CCOC(=O)CCCCOc1ccc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
NTSR1 P30989 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
P2RY12 Q9H244 1/20 0.45
LTA4H P09960 4/20 0.45
BRD4 O60885 1/20 0.45
PDK2 Q15119 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL7311849 0.99 MAPT (0.47) MAPTALDH1A1HPGDLMNACYP1A2
SCHEMBL7318598 0.97 MAPT (0.49) MAPTALDH1A1HPGDLMNACYP1A2
SCHEMBL7319981 0.91 ALDH1A1 (0.47) MAPTALDH1A1HPGDLMNACYP1A2
SCHEMBL7308168 0.90 ALDH1A1 (0.47) MAPTALDH1A1HPGDLMNACYP1A2
SCHEMBL7312883 0.90 ALDH1A1 (0.47) MAPTALDH1A1HPGDLMNACYP1A2
SCHEMBL7315331 0.87 ALDH1A1 (0.48) MAPTALDH1A1HPGDLMNACYP1A2
SCHEMBL18155122 0.87 ALDH1A1 (0.52) MAPTALDH1A1HPGDLMNACYP1A2
SCHEMBL12238281 0.86 MAPT (0.61) MAPTALDH1A1HPGDLMNACYP1A2
SCHEMBL7313303 0.84 PPARA (0.46) MAPTALDH1A1PDE3BPDE3AP2RY12
SCHEMBL7318161 0.83 ALB (0.47) MAPTTDP1PDE3BPDE3AP2RY12

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