SCHEMBL7206837

SCHEMBL7206837

COc1cc2c(cc1OC)[C@H]1CN(C)CC[C@H]1N=C2c1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.61
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
CHEK1 O14757 5/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM1A O60341 8/20 0.39
HRH3 Q9Y5N1 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PRKDC P78527 1/20 0.36

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
SCHEMBL7206842 1.00 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CCHEK1
SCHEMBL7212832 0.89 PDE4D (0.63) PDE4DPDE4APDE4BPDE4CKDM1A
SCHEMBL11840218 0.87 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CPDE3A
SCHEMBL11840227 0.87 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CPDE3A
SCHEMBL11840097 0.87 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CPDE3A
SCHEMBL11840105 0.87 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CPDE3A
SCHEMBL11844968 0.86 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CPDE3A
SCHEMBL7319066 0.86 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CCHEK1
SCHEMBL7367489 0.86 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CCHEK1
SCHEMBL11844955 0.86 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CPDE3A

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-0968211-B1 TETRAZOLE DERIVATIVES ALTANA PHARMA AG (DE) 2003-08-27 EP disclosed
US-6143759-A ANTIINFLAMMATORY AGENTS AND ANTICOAGULANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-11-07 US disclosed