SCHEMBL6533925

SCHEMBL6533925

COC(=O)c1ccccc1C1=N[C@@H]2CCCC[C@@H]2c2cc(OC)c(OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 7/20 0.39
TSHR P16473 3/20 0.39
ATM Q13315 1/20 0.39
PDE4D Q08499 4/20 0.39
PDE7A Q13946 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
PDE4B Q07343 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 5/20 0.38
HTT P42858 2/20 0.38
HSP90AA1 P07900 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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 SCHEMBL6526680 0.88 PDE4D (0.38) ALDH1A1ATMPDE4DKDM4EHPGD
SCHEMBL5056368 0.83 PDE4D (0.50) ALDH1A1ATMPDE4DNPSR1PDE4B
SCHEMBL7400096 0.83 PDE4D (0.50) ALDH1A1ATMPDE4DNPSR1PDE4B
SCHEMBL5057946 0.83 PDE4D (0.50) ALDH1A1ATMPDE4DNPSR1PDE4B
SCHEMBL7205164 0.83 PDE4D (0.50) ALDH1A1ATMPDE4DNPSR1PDE4B
SCHEMBL5056761 0.82 PDE4D (0.42) PDE4DPDE7APDE4BPDE4APDE4C
SCHEMBL2889038 0.80 RAB9A (0.37) ALDH1A1TSHRPDE4DKDM4EHPGD
SCHEMBL2887955 0.79 PDE4B (0.49) PDE5APDE4DHPGDPDE4BPDE4A
SCHEMBL2887949 0.79 PDE4B (0.49) PDE5APDE4DHPGDPDE4BPDE4A
SCHEMBL2887953 0.79 PDE4B (0.49) PDE5APDE4DHPGDPDE4BPDE4A

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-1537086-A2 NOVEL PHENANTHRIDINES ALTANA Pharma AG (DE) 2005-06-08 EP disclosed
WO-2004018431-A2 NOVEL PHENANTHRIDINES ALTANA PHARMA AG (DE) 2004-03-04 WO disclosed