SCHEMBL6584579

SCHEMBL6584579

COc1ccc(C2CCNC(=O)O2)cc1OCC1(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.40
PDE4B Q07343 9/20 0.40
PDE4D Q08499 9/20 0.40
PDE4C Q08493 8/20 0.40
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
TLR4 O00206 1/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL6581756 0.85 PDE4A (0.40) PDE4APDE4BPDE4DPDE4C
SCHEMBL6588339 0.82 CHRM5 (0.42) PDE4APDE4BPDE4DPDE4CCHRM5
SCHEMBL6584193 0.81 PDE4A (0.47) PDE4APDE4BPDE4DPDE4C
SCHEMBL6584131 0.81 PDE4A (0.49) PDE4APDE4BPDE4DPDE4CKDM4E
SCHEMBL7915920 0.80 PDE4A (0.47) PDE4APDE4BPDE4DPDE4CALDH1A1
SCHEMBL6582690 0.79 PTAFR (0.48) PDE4APDE4BPDE4DPDE4C
SCHEMBL6585251 0.79 PDE4B (0.49) PDE4APDE4BPDE4DPDE4C
SCHEMBL6587870 0.79 PDE4A (0.58) PDE4APDE4BPDE4DPDE4CKDM4E
SCHEMBL6583531 0.78 PDE4A (0.49) PDE4APDE4BPDE4DPDE4C
SCHEMBL6584175 0.78 PDE4A (0.57) PDE4APDE4BPDE4DPDE4CKDM4E

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