SCHEMBL20159419

SCHEMBL20159419

C[C@H]1CC(=O)N(CC2CCOCC2)N=C1c1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 6/20 0.37
PDE3B Q13370 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
BACE1 P56817 1/20 0.35
PDE4B Q07343 8/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
CSF1R P07333 1/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 3/20 0.32
RPTOR Q8N122 1/20 0.32
MLST8 Q9BVC4 1/20 0.32
BRD4 O60885 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32

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
SCHEMBL20159417 1.00 PDE3A (0.37) PDE3APDE3BCNR1CNR2CTSD
SCHEMBL20159422 1.00 PDE3A (0.37) PDE3APDE3BCNR1CNR2CTSD
SCHEMBL20159430 0.92 PDE4B (0.38) PDE3APDE4BPDE4APDE4CPDE4D
SCHEMBL20143661 0.81 CD274 (0.45) PDE3APDE3BPDE4DPIK3CAMTOR
SCHEMBL20142921 0.80 PDE4B (0.40) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL20159213 0.80 PDE4A (0.40) PDE3APDE3BCTSEBACE1PDE4B
SCHEMBL20138907 0.80 PDE4A (0.40) PDE3APDE3BCTSEBACE1PDE4B
SCHEMBL20142922 0.80 PDE4A (0.40) PDE3APDE3BCTSEBACE1PDE4B
SCHEMBL25095015 0.79 PDE4B (0.37) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL20159108 0.77 PDE4B (0.38) PDE3APDE3BPDE4BPDE4APDE4C

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-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed