SCHEMBL6586977

SCHEMBL6586977

COc1ccc(C2(c3cccnc3)CCNC(=O)O2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.52
PDE4B Q07343 17/20 0.52
PDE4C Q08493 17/20 0.52
PDE4D Q08499 17/20 0.52
CTSD P07339 1/20 0.50
BACE1 P56817 1/20 0.50
BACE2 Q9Y5Z0 1/20 0.50

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
SCHEMBL6584886 0.89 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585434 0.83 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL6588260 0.81 PDE4B (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL6582399 0.81 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585249 0.79 PDE4B (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL6584639 0.77 PDE4B (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL6584436 0.77 PDE4B (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL7763150 0.73 PDE4B (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL7764127 0.73 PDE4B (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL7763127 0.73 PDE4B (0.64) PDE4APDE4BPDE4CPDE4D

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