SCHEMBL7306516

SCHEMBL7306516

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LTA4H P09960 3/20 0.39
TNF P01375 1/20 0.38
THRB P10828 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
FFAR1 O14842 1/20 0.37
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL7320131 0.88 MAPT (0.43) MAPTKDM4EALDH1A1TDP1CYP3A4
SCHEMBL7319798 0.85 ALB (0.40) MAPTTDP1THRBKMT2AFFAR1
SCHEMBL7315073 0.85 THRB (0.36) MAPTALDH1A1THRBVCAM1ESR1
Hydrochloric Acid SCHEMBL7315078 0.84 ALB (0.39) MAPTTDP1THRBKMT2AFFAR1
SCHEMBL7306772 0.84 MAPT (0.44) MAPTKDM4EALDH1A1TDP1CYP3A4
SCHEMBL7314738 0.82 FBP1 (0.40) MAPTKDM4EALDH1A1TDP1CYP3A4
SCHEMBL7314001 0.81 MAPT (0.41) MAPTKDM4EALDH1A1TDP1CYP3A4
SCHEMBL7311849 0.81 MAPT (0.47) MAPTKDM4EALDH1A1TDP1CYP3A4
SCHEMBL18155122 0.79 ALDH1A1 (0.52) MAPTKDM4EALDH1A1TDP1CYP3A4
SCHEMBL7312411 0.79 MAPT (0.48) MAPTKDM4EALDH1A1TDP1CYP3A4

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