SCHEMBL7312410

SCHEMBL7312410

COc1ccc(CC(C#N)c2ccccn2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.49
PDE4D Q08499 3/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE5A O76074 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45

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
SCHEMBL1388410 0.82 PDE4A (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL7323535 0.81 PDE4A (0.61) PDE4APDE4DPDE4BPDE4C
SCHEMBL7321222 0.80 PDE4A (0.53) PDE4APDE4DPDE4BPDE4C
SCHEMBL8578431 0.79 PDE4A (0.70) PDE4APDE4DPDE4BPDE4C
SCHEMBL7355462 0.78 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL7391023 0.76 PDE4A (0.71) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL8688696 0.75 PDE4A (0.64) PDE4APDE4DPDE4BPDE4C
SCHEMBL7314903 0.75 ALOX15 (0.54) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL7387770 0.74 ALOX15 (0.53) PDE4APDE4DPDE4BPDE4C
SCHEMBL9266969 0.74 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 2 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-5739144-A INHIBITORS OF PHOSPHODIESTERASE ENZYMES CELLTECH THERAPEUTICS LIMITED (GB) 1998-04-14 US disclosed