SCHEMBL7318591

SCHEMBL7318591

CNCC1=CC(c2ccccc2)Cc2c1ccc(O)c2O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 7/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRA2A P08913 3/20 0.35
ADRA2B P18089 3/20 0.35
ADRA2C P18825 3/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
DRD5 P21918 3/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2C P28335 1/20 0.31

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
Hydrochloric Acid SCHEMBL7318180 0.99 DRD1 (0.35) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL7451989 0.85 MTNR1A (0.37) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL7447203 0.84 ACHE (0.35) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL7308845 0.83 DRD1 (0.43) DRD1KDM4ETP53CYP1A2CYP3A4
Bromide SCHEMBL7318319 0.82 DRD1 (0.42) DRD1KDM4ETP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7498114 0.82 DRD1 (0.37) DRD1KDM4ETP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7307954 0.82 DRD1 (0.42) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL9038400 0.72 DRD1 (0.35) DRD1KDM4ETP53CYP1A2CYP3A4
Bromide SCHEMBL7317258 0.71 DRD1 (0.36) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL9039007 0.71 DRD1 (0.48) DRD1KDM4ETP53CYP1A2CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP claimed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP claimed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP claimed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO claimed
US-5621133-A PREPARING A 1-(3,4-DIALKOXYPHENYL),3-HYDROXYALKANE(C6-C12) BY EPOXIDIZING A HALO DERIVATIVE WITH A BASE FOLLOWED BY DECYCLICIZING WITH AN ORGANOMETALLIC COMPOUND IN A SOLVENT; NAPHTHYLENES, ISOCHROMENES AND ISOTHIOCHROMENES DENINNO MICHAEL P (US) 1997-04-15 US disclosed
US-5591884-A PROTECTED HYDROXYALKYLCATECHOL INTERMEDIATES ABBOTT LABORATORIES (US) 1997-01-07 US disclosed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO disclosed
US-4963568-A TREATMENT OF PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1990-10-16 US disclosed