SCHEMBL7204724

SCHEMBL7204724

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

nearest known ligand 0.94

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.94
PDE4A P27815 3/20 0.94
PDE4B Q07343 3/20 0.94
PDE4C Q08493 3/20 0.94
MCHR1 Q99705 6/20 0.35
SRD5A2 P31213 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SSTR5 P35346 4/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7204406 1.00 PDE4D (0.94) PDE4DPDE4APDE4BPDE4CMCHR1
Hydrochloric Acid SCHEMBL7204757 0.99 PDE4D (0.92) PDE4DPDE4APDE4BPDE4CMCHR1
Pumafentrine SCHEMBL29651667 0.97 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMCHR1
Pumafentrine SCHEMBL26718 0.97 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMCHR1
Pumafentrine SCHEMBL8344522 0.97 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMCHR1
Pumafentrine SCHEMBL447418 0.97 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMCHR1
SCHEMBL7204721 0.97 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMCHR1
Pumafentrine SCHEMBL5187632 0.96 PDE4D (0.98) PDE4DPDE4APDE4BPDE4CMCHR1
Pumafentrine SCHEMBL5187638 0.96 PDE4D (0.98) PDE4DPDE4APDE4BPDE4CMCHR1
Hydrochloric Acid SCHEMBL8388626 0.96 PDE4D (0.98) PDE4DPDE4APDE4BPDE4CMCHR1

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 3 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
EP-0937074-B1 BENZONAPHTHYRIDINES AS BRONCHIAL THERAPEUTICS ALTANA PHARMA AG (DE) 2003-03-12 EP disclosed
US-6008215-A TREATING INFLAMMATORY AIRWAY DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-28 US disclosed