SCHEMBL22304682

SCHEMBL22304682

O=C1COC(c2cnc(N3CCCCC3)c(C(F)(F)F)c2)=NN1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
PDE3B Q13370 12/20 0.42
PDE3A Q14432 12/20 0.42
MAOB P27338 6/20 0.39
NOTUM Q6P988 1/20 0.36

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
SCHEMBL22288394 0.89 PDE3B (0.49) CNR2PDE3BPDE3AMAOB
SCHEMBL22288612 0.86 PDE3B (0.41) PDE3BPDE3AMAOBNOTUM
SCHEMBL22304683 0.85 PDE3B (0.38) CNR2PDE3BPDE3AMAOB
SCHEMBL22288640 0.85 PDE3B (0.48) PDE3BPDE3AMAOB
SCHEMBL22304784 0.85 PDE3B (0.52) CNR2PDE3BPDE3AMAOB
SCHEMBL22304677 0.83 PDE3B (0.40) PDE3BPDE3AMAOB
SCHEMBL22304783 0.81 PDE3B (0.61) PDE3BPDE3ANOTUM
SCHEMBL22288634 0.81 PDE3B (0.61) PDE3BPDE3ANOTUM
SCHEMBL22288643 0.79 PDE3B (0.42) PDE3BPDE3AMAOB
SCHEMBL22304510 0.79 MAOB (0.46) 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