SCHEMBL7317902

SCHEMBL7317902

COc1ccc(C(C)(O)Cc2ccccn2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.49
PDE4D Q08499 7/20 0.49
PDE4B Q07343 6/20 0.49
PDE4C Q08493 4/20 0.49
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC5A7 Q9GZV3 1/20 0.44

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
SCHEMBL8688876 0.85 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CCYP3A4
SCHEMBL8770460 0.81 PDE4A (0.55) PDE4APDE4DPDE4BPDE4C
SCHEMBL7387861 0.81 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CCYP3A4
Hydrochloric Acid SCHEMBL7385711 0.80 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CCYP3A4
Hydrochloric Acid SCHEMBL7385714 0.80 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CCYP3A4
SCHEMBL7995009 0.79 PDE4B (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL7765508 0.79 PDE4B (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL7914451 0.79 PDE4B (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL7320173 0.77 PDE4A (0.44) PDE4APDE4DPDE4BPDE4C
SCHEMBL7320846 0.77 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CSLC5A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962483-A ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LIMITED (GB) 1999-10-05 US disclosed
US-5962492-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
US-5723460-A Cyclo (alkyl and alkenyl) phenyl-alkenylyl heteroaryl compounds and pharmaceutical compositions containing same CELLTECH THERAPEUTICS LIMITED (GB) 1998-03-03 US disclosed