SCHEMBL7211005

SCHEMBL7211005

CCOc1cc2c(cc1OC)C(c1cccc(C(=O)OC)c1)=NC1CCN(C)CC21

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.69
PDE4A P27815 1/20 0.69
PDE4B Q07343 1/20 0.69
PDE4C Q08493 1/20 0.69
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
ROCK2 O75116 1/20 0.35
PAK1 Q13153 1/20 0.35
KMT2A Q03164 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
PDE7A Q13946 1/20 0.34

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
SCHEMBL7211003 1.00 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CALDH1A1
Hydrochloric Acid SCHEMBL8387934 0.99 PDE4D (0.68) PDE4DPDE4APDE4BPDE4CALDH1A1
Hydrochloric Acid SCHEMBL8387939 0.99 PDE4D (0.68) PDE4DPDE4APDE4BPDE4CALDH1A1
Hydrochloric Acid SCHEMBL8390757 0.93 PDE4D (0.58) PDE4DPDE4APDE4BPDE4CALDH1A1
Hydrochloric Acid SCHEMBL7208480 0.93 PDE4D (0.58) PDE4DPDE4APDE4BPDE4CALDH1A1
Hydrochloric Acid SCHEMBL7207684 0.90 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CALDH1A1
Hydrochloric Acid SCHEMBL7207679 0.90 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7209210 0.88 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL13350269 0.88 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL8327863 0.88 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CALDH1A1

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 1 patent. 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 disclosed