SCHEMBL7150371

SCHEMBL7150371

COc1ccc(C(C)CNCC#N)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.56
PDE4A P27815 16/20 0.53
PDE4D Q08499 4/20 0.53
PDE4C Q08493 3/20 0.53

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
SCHEMBL20459355 0.85 PDE4A (0.62) PDE4BPDE4APDE4DPDE4C
SCHEMBL7149756 0.84 PDE4B (0.52) PDE4BPDE4APDE4DPDE4C
SCHEMBL7311861 0.79 PDE4A (0.56) PDE4BPDE4APDE4DPDE4C
SCHEMBL7322576 0.79 PDE4A (0.55) PDE4BPDE4APDE4DPDE4C
SCHEMBL7146703 0.79 PDE4B (0.58) PDE4BPDE4APDE4DPDE4C
SCHEMBL7146082 0.78 PDE4B (0.49) PDE4BPDE4APDE4DPDE4C
SCHEMBL7146075 0.78 PDE4B (0.49) PDE4BPDE4APDE4DPDE4C
SCHEMBL7357952 0.77 PDE4B (0.53) PDE4BPDE4APDE4DPDE4C
SCHEMBL2989802 0.77 PDE4A (0.61) PDE4BPDE4APDE4DPDE4C
SCHEMBL6585871 0.77 PDE4A (0.61) PDE4BPDE4APDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934280-B1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-09 EP disclosed
US-6051718-A A PHOSPHODIESTERASE ENZYME INHIBITOR AND A CYTOKINE ANTAGONIST FOR TREATING ALLERGIC, ATOPIC AND INFLAMMATORY DISEASES INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-04-18 US disclosed
EP-0934280-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-08-11 EP disclosed
WO-1998014432-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-04-09 WO disclosed