SCHEMBL6586342

SCHEMBL6586342

COc1ccc(C(O)CC#N)cc1OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
HRH3 Q9Y5N1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
OPRK1 P41145 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 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
SCHEMBL6585871 0.82 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585543 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585547 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586347 0.82 SLC29A1 (0.46) SIGMAR1
SCHEMBL6587617 0.79 PDE4B (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7341124 0.75 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL6583627 0.75 PDE4D (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6582898 0.74 PPARG (0.53) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6584623 0.74 ACHE (0.53) SMN1; SMN2SIGMAR1ACHEBACE1
SCHEMBL4816554 0.73 PDE4A (0.71) 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