SCHEMBL22304515

SCHEMBL22304515

O=C1COC(c2ccc(-n3ccc(C(F)(F)F)n3)c(F)c2)=NN1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.46
PDE3A Q14432 5/20 0.46
MAOB P27338 11/20 0.42
NR3C2 P08235 3/20 0.38
NR3C1 P04150 2/20 0.38
PGR P06401 2/20 0.38

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
SCHEMBL22288664 0.89 PDE3B (0.57) PDE3BPDE3AMAOB
SCHEMBL22289023 0.81 PDE3B (0.41) PDE3BPDE3ANR3C2NR3C1PGR
SCHEMBL20703432 0.81 PDE3B (0.45) PDE3BPDE3A
SCHEMBL22308358 0.80 PDE3B (0.44) PDE3BPDE3ANR3C2NR3C1PGR
SCHEMBL22288643 0.77 PDE3B (0.42) PDE3BPDE3AMAOB
SCHEMBL22304763 0.75 MAOB (0.56) PDE3BPDE3AMAOB
SCHEMBL22288965 0.75 MAOB (0.56) PDE3BPDE3AMAOB
SCHEMBL22288706 0.74 MAOB (0.50) PDE3BPDE3AMAOB
SCHEMBL22304786 0.74 PDE3B (0.65) PDE3BPDE3AMAOB
SCHEMBL22288970 0.72 PDE3B (0.63) PDE3BPDE3AMAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed