SCHEMBL7316969

SCHEMBL7316969

COc1ccc(CCc2cnccn2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.49
PDE4B Q07343 5/20 0.48
PDE4D Q08499 4/20 0.47
PDE4C Q08493 3/20 0.47
SLC5A7 Q9GZV3 1/20 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
SCHEMBL7314903 0.85 ALOX15 (0.54) PDE4APDE4BPDE4DPDE4C
Hydrochloric Acid SCHEMBL7387770 0.84 ALOX15 (0.53) PDE4APDE4BPDE4DPDE4C
SCHEMBL6889304 0.83 PDE4A (0.63) PDE4APDE4BPDE4DPDE4C
Hydrochloric Acid SCHEMBL6887553 0.82 PDE4A (0.62) PDE4APDE4BPDE4DPDE4C
SCHEMBL8436326 0.80 PDE4A (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL7321228 0.80 PDE4B (0.49) PDE4APDE4BPDE4DPDE4C
SCHEMBL1389001 0.80 PDE4A (0.49) PDE4APDE4BPDE4DPDE4C
SCHEMBL1157626 0.80 POLB (0.48) PDE4APDE4BPDE4DPDE4CSLC5A7
SCHEMBL7317449 0.78 PDE4A (0.56) PDE4APDE4BPDE4DPDE4CSLC5A7
SCHEMBL6881979 0.78 PDE4A (0.56) PDE4APDE4BPDE4DPDE4C

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-0640065-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 2001-10-17 EP disclosed
US-5962483-A ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LIMITED (GB) 1999-10-05 US disclosed
US-5739144-A INHIBITORS OF PHOSPHODIESTERASE ENZYMES CELLTECH THERAPEUTICS LIMITED (GB) 1998-04-14 US disclosed