SCHEMBL9752495

SCHEMBL9752495

Cc1nnc(NCCCN2CC3CCC(CC3)C2)c2cc3ccccn3c12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.52
PDE4D Q08499 14/20 0.52
SOD1 P00441 2/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9752783 0.97 PDE4B (0.49) PDE4BPDE4DSOD1
SCHEMBL9752566 0.88 PDE4B (0.58) PDE4BPDE4D
SCHEMBL9870693 0.87 PDE4B (0.58) PDE4BPDE4D
SCHEMBL9752995 0.87 PDE4B (0.60) PDE4BPDE4D
SCHEMBL9872416 0.86 PDE4B (0.59) PDE4BPDE4DKDM4EMEN1ALDH1A1
SCHEMBL9871473 0.84 PDE4B (0.55) PDE4BPDE4D
SCHEMBL9871070 0.84 PDE4B (0.57) PDE4BPDE4D
SCHEMBL9870196 0.83 PDE4B (0.56) PDE4BPDE4DKDM4EMEN1ALDH1A1
SCHEMBL9752592 0.81 PDE4B (0.47) PDE4BPDE4DKDM4EMEN1ALDH1A1
SCHEMBL9870800 0.80 PDE4B (0.45) PDE4BPDE4DKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991010664-A1 PYRIDAZINO[4,5-b]INDOLIZINES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-07-25 WO claimed
US-4985560-A Pyridazino(4,5-b)indolizines AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-15 US disclosed