SCHEMBL7142685

SCHEMBL7142685

COc1ccc(CC#N)cc1OCCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.54
PDE4A P27815 3/20 0.54
PDE4C Q08493 3/20 0.54
PDE4D Q08499 3/20 0.54
SIGMAR1 Q99720 9/20 0.53
EBP Q15125 1/20 0.53
TMEM97 Q5BJF2 1/20 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
SCHEMBL8730444 0.91 SIGMAR1 (0.63) SIGMAR1EBPTMEM97
SCHEMBL1464842 0.82 MAPK1 (0.55)
SCHEMBL20482702 0.81 CA2 (0.43) SIGMAR1EBPTMEM97
SCHEMBL8354813 0.81 PDE4A (0.49) PDE4BPDE4APDE4CPDE4DSIGMAR1
SCHEMBL12040575 0.79 EBP (0.67) SIGMAR1EBPTMEM97
SCHEMBL7320184 0.79 S1PR2 (0.51)
SCHEMBL14722421 0.77 PRSS1 (0.46) SIGMAR1TMEM97
SCHEMBL10526510 0.77 EBP (0.68) SIGMAR1EBPTMEM97
SCHEMBL7119572 0.77 PDE4A (0.60) PDE4BPDE4APDE4CPDE4DSIGMAR1
SCHEMBL6355596 0.77 MEN1 (0.56)

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