SCHEMBL7211517

SCHEMBL7211517

CCOc1cc2c(cc1OCC)C1CN(C)CCC1N=C2c1ccc(C(=O)OC(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.74
PDE4A P27815 5/20 0.74
PDE4B Q07343 5/20 0.74
PDE4C Q08493 5/20 0.74
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SSTR5 P35346 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
GLA P06280 1/20 0.32
FDFT1 P37268 1/20 0.32

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
SCHEMBL7207660 1.00 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CGAA
Hydrochloric Acid SCHEMBL8388525 0.99 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CGAA
Hydrochloric Acid SCHEMBL7203809 0.99 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CGAA
SCHEMBL13350269 0.90 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CSCN1A
SCHEMBL8327863 0.90 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CSCN1A
SCHEMBL7209210 0.90 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CSCN1A
Hydrochloric Acid SCHEMBL8390738 0.90 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CSCN1A
Hydrochloric Acid SCHEMBL7207639 0.90 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CPOLB
Hydrochloric Acid SCHEMBL8518653 0.90 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CPOLB
Hydrochloric Acid SCHEMBL8390741 0.90 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CSCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937074-B1 BENZONAPHTHYRIDINES AS BRONCHIAL THERAPEUTICS ALTANA PHARMA AG (DE) 2003-03-12 EP claimed
US-6008215-A TREATING INFLAMMATORY AIRWAY DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-28 US claimed