SCHEMBL7823737

SCHEMBL7823737

CCCCc1nnc2ccccc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.42
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 6/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
DHODH Q02127 1/20 0.37
TLR8 Q9NR97 3/20 0.37
TLR7 Q9NYK1 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 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
SCHEMBL8676191 0.81 GPR3 (0.43) GPR3PARP1ALDH1A1KDM4EHPGD
SCHEMBL7836462 0.80 GPR3 (0.42) GPR3PARP1ALDH1A1KDM4EHPGD
SCHEMBL8676184 0.80 GPR3 (0.42) GPR3PARP1ALDH1A1LMNAMAPK1
SCHEMBL4189659 0.74 KDM4E (0.49) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL29365110 0.74 KDM4E (0.49) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL5369158 0.74 KDM4E (0.49) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL24079190 0.73 KDM4E (0.42) PARP1ALDH1A1LMNAMAPK1KDM4E
SCHEMBL19841056 0.73 KDM4E (0.42) PARP1ALDH1A1LMNAMAPK1KDM4E
SCHEMBL22042252 0.73 KDM4E (0.45) PARP1ALDH1A1LMNAMAPK1KDM4E
SCHEMBL7850047 0.72 TLR7 (0.43) PARP1ALDH1A1LMNAMAPK1KDM4E

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-0498723-B1 Nitrogen containing bicycle compounds, method for their preparation, their use as pharmaceutical and compositions containing them AVENTIS PHARMA SA (FR) 2001-09-19 EP disclosed
EP-0498721-B1 N-substituted quinoline derivatives, process for their preparation, their use as pharmaceuticals and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 1999-12-22 EP disclosed
US-6004979-A ANGIOTENSIN II INHIBITORS; 4-((CARBOXY)ARYLOXY)-QUINOLINE DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-12-21 US disclosed
US-5985894-A USEFUL IN THE TREATMENT OF CARDIOVASCULAR ILLNESSES HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed
US-5817674-A ANTIOTENSIN II RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1998-10-06 US disclosed
EP-0498722-B1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-07-30 EP disclosed
US-5478938-A Antagonists for angiotensin II receptors; hypotensive, cardiotonic agents; cognitive activators ROUSSEL UCLAF (FR) 1995-12-26 US disclosed
US-5324839-A Hypotensive agents, gastrointestinal and urogenital disorders ROUSSEL-UCLAF (FR) 1994-06-28 US disclosed
EP-0498723-A1 Nitrogen containing bicycle compounds, method for their preparation, their use as pharmaceutical and compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed
EP-0498722-A1 Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed
EP-0498721-A1 N-substituted quinoline derivatives, process for their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1992-08-12 EP disclosed