SCHEMBL6882236

SCHEMBL6882236

COc1ccc(C(C)(c2ccncc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.55
S1PR1 P21453 1/20 0.51
S1PR3 Q99500 1/20 0.51
PDE4D Q08499 4/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46

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
SCHEMBL7486451 0.87 PDE4A (0.55) PDE4AS1PR1S1PR3PDE4DPDE4B
SCHEMBL6889940 0.83 PDE4B (0.43) PDE4AS1PR1S1PR3PDE4DPDE4B
SCHEMBL6758010 0.82 PDE4A (0.51) PDE4AS1PR1S1PR3PDE4DPDE4B
SCHEMBL5818764 0.79 PDE4A (0.76) PDE4AS1PR1S1PR3PDE4DPDE4B
SCHEMBL27548932 0.79 PDE4A (0.49) PDE4AS1PR1S1PR3PDE4DPDE4B
SCHEMBL6881800 0.79 PDE4A (0.48) PDE4AS1PR1S1PR3PDE4DPDE4B
SCHEMBL6881797 0.79 PDE4A (0.48) PDE4AS1PR1S1PR3PDE4DPDE4B
Hydrochloric Acid SCHEMBL8202348 0.78 PDE4A (0.74) PDE4AS1PR1S1PR3PDE4DPDE4B
SCHEMBL6886585 0.78 PDE4A (0.45) PDE4AS1PR1S1PR3PDE4DPDE4B
SCHEMBL7845534 0.75 PDE4A (0.56) 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 7 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
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
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