SCHEMBL9752585

SCHEMBL9752585

Cc1nnc(NCCNC2CCC3CCC2C3)c2cc3ccccn3c12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.41
PDE4D Q08499 14/20 0.41
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31

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
SCHEMBL9870120 0.83 PDE4B (0.41) PDE4BPDE4D
SCHEMBL9870667 0.82 PDE4B (0.45) PDE4BPDE4DNPC1RAB9A
SCHEMBL9752495 0.77 PDE4B (0.52) PDE4BPDE4D
SCHEMBL9752708 0.77 PDE4B (0.44) PDE4BPDE4DNPC1RAB9A
SCHEMBL9752783 0.77 PDE4B (0.49) PDE4BPDE4DNPC1RAB9A
Hydrochloric Acid SCHEMBL9752508 0.76 PDE4B (0.43) PDE4BPDE4DNPC1RAB9A
SCHEMBL9879251 0.75 PDE4B (0.42) PDE4BPDE4DNPC1RAB9A
SCHEMBL9870727 0.75 LMNA (0.53) PDE4BPDE4D
SCHEMBL9752566 0.75 PDE4B (0.58) PDE4BPDE4D
SCHEMBL9871382 0.74 PDE4B (0.44) PDE4BPDE4DNPC1RAB9A

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