SCHEMBL9752592

SCHEMBL9752592

Cc1nnc(NCCCN2CCCCC2C)c2cc3ccccn3c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.47
PDE4D Q08499 8/20 0.47
SLC2A1 P11166 1/20 0.47
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CXCR4 P61073 6/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9752566 0.86 PDE4B (0.58) PDE4BPDE4D
SCHEMBL9870693 0.85 PDE4B (0.58) PDE4BPDE4D
SCHEMBL9871473 0.83 PDE4B (0.55) PDE4BPDE4D
SCHEMBL9752995 0.81 PDE4B (0.60) PDE4BPDE4D
SCHEMBL9752495 0.81 PDE4B (0.52) PDE4BPDE4DKDM4EALDH1A1MEN1
SCHEMBL9872416 0.81 PDE4B (0.59) PDE4BPDE4DLMNAKDM4EALDH1A1
SCHEMBL9870667 0.79 PDE4B (0.45) PDE4BPDE4DLMNACYP3A4
SCHEMBL9871070 0.79 PDE4B (0.57) PDE4BPDE4D
SCHEMBL9870196 0.78 PDE4B (0.56) PDE4BPDE4DLMNAKDM4EALDH1A1
SCHEMBL9752783 0.78 PDE4B (0.49) PDE4BPDE4D

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 disclosed
US-4985560-A Pyridazino(4,5-b)indolizines AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-15 US disclosed