SCHEMBL6583778

SCHEMBL6583778

COc1ccc(C(O)(CC#N)c2cccnc2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.48
PDE4D Q08499 9/20 0.45
PDE4B Q07343 7/20 0.45
PDE4C Q08493 6/20 0.45
PDE5A O76074 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39

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
SCHEMBL6585192 0.88 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6582369 0.83 PDE4A (0.46) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6586329 0.80 PDE4A (0.40) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6584335 0.79 PDE4B (0.44) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL6587626 0.79 PDE4B (0.48) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL7320846 0.78 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL6586360 0.77 PDE4B (0.44) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL986885 0.75 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL6508090 0.75 PDE4A (0.58) PDE4APDE4DPDE4BPDE4C
SCHEMBL6583489 0.73 PDE4B (0.42) PDE4APDE4DPDE4BPDE4CPDE5A

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-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed