SCHEMBL7147675

SCHEMBL7147675

COc1ccc(CC#N)cc1OC1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.50
PDE4A P27815 8/20 0.50
PDE4C Q08493 7/20 0.50
PDE4D Q08499 7/20 0.50
SLC6A4 P31645 3/20 0.41
PIK3CG P48736 1/20 0.40
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7359923 0.82 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DSLC6A4
SCHEMBL3170776 0.82 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL7365094 0.82 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DSLC6A4
SCHEMBL6606602 0.79 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DSLC6A4
SCHEMBL77974 0.78 CA2 (0.61) PIK3CGHIF1ANPSR1
SCHEMBL7149759 0.77 PDE4D (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL7412691 0.77 PDE4A (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL6587617 0.77 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL6585141 0.76 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DSLC6A4
SCHEMBL21328361 0.75 CA2 (0.52) PIK3CGHIF1ANPSR1

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-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-0247725-B1 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER (US) 1994-03-02 EP disclosed