SCHEMBL7265252

SCHEMBL7265252

COc1ccc([C@H](Cc2ccncc2)c2ccc(N)cc2)cc1OC1CCCC1

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.88
PDE4D Q08499 2/20 0.84
PDE4B Q07343 1/20 0.84
PDE4C Q08493 1/20 0.84

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
SCHEMBL7265246 1.00 PDE4A (0.88) PDE4APDE4DPDE4BPDE4C
SCHEMBL6890082 0.98 PDE4A (0.84) PDE4APDE4DPDE4BPDE4C
SCHEMBL6890078 0.98 PDE4A (0.84) PDE4APDE4DPDE4BPDE4C
SCHEMBL6887756 0.95 PDE4A (0.81) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL6889288 0.94 PDE4A (0.80) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL6889284 0.94 PDE4A (0.80) PDE4APDE4DPDE4BPDE4C
SCHEMBL1387472 0.93 PDE4A (1.00) PDE4APDE4DPDE4BPDE4C
SCHEMBL1387378 0.93 PDE4A (1.00) PDE4APDE4DPDE4BPDE4C
SCHEMBL1387380 0.93 PDE4A (1.00) PDE4APDE4DPDE4BPDE4C
SCHEMBL6755361 0.93 PDE4A (0.95) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874824-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2003-06-25 EP disclosed
EP-0874824-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-11-04 EP disclosed
WO-1997023461-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-07-03 WO disclosed