SCHEMBL6881979

SCHEMBL6881979

COc1ccc(CCc2ccncc2CCc2ccccc2)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.56
PDE4D Q08499 5/20 0.53
PDE4B Q07343 4/20 0.53
PDE4C Q08493 4/20 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
SCHEMBL27470337 0.85 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL1389001 0.85 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL6888895 0.85 PDE4A (0.61) PDE4APDE4DPDE4BPDE4C
SCHEMBL6881976 0.84 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
SCHEMBL6889304 0.84 PDE4A (0.63) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL6887553 0.83 PDE4A (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL7341287 0.83 PDE4A (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL6888660 0.82 PDE4A (0.51) PDE4APDE4DPDE4BPDE4C
SCHEMBL8688573 0.82 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C
SCHEMBL6886859 0.82 PDE4A (0.59) PDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770065-B1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2004-03-31 EP claimed
EP-0770065-A1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-02 EP claimed
WO-1995035281-A1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1995-12-28 WO claimed
CN-1304372-C Tri-substituted phenyl derivates useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD (GB) 2007-03-14 CN disclosed
EP-0770065-B1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2004-03-31 EP disclosed
US-6077854-A Tri-substituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-06-20 US disclosed
CN-1151732-A Tri-substituted phenyl derivates useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD (GB) 1997-06-11 CN disclosed
EP-0770065-A1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-02 EP disclosed
WO-1995035281-A1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1995-12-28 WO disclosed