SCHEMBL9752615

SCHEMBL9752615

Cc1nnc(NCCNc2ccccn2)c2cc3ccccn3c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.47
PDE4D Q08499 13/20 0.47
CYP2C19 P33261 1/20 0.39
CYP1A2 P05177 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL9871483 0.86 PDE4B (0.46) PDE4BPDE4DCYP1A2NPC1RAB9A
SCHEMBL9752708 0.82 PDE4B (0.44) PDE4BPDE4DNPC1RAB9A
Hydrochloric Acid SCHEMBL9752508 0.81 PDE4B (0.43) PDE4BPDE4DNPC1RAB9A
SCHEMBL9879251 0.81 PDE4B (0.42) PDE4BPDE4DNPC1RAB9A
SCHEMBL9870800 0.79 PDE4B (0.45) PDE4BPDE4D
SCHEMBL9752624 0.79 PDE4B (0.45) PDE4BPDE4D
SCHEMBL9870296 0.79 PDE4B (0.69) PDE4BPDE4DCYP1A2
SCHEMBL9871984 0.78 PDE4B (0.43) PDE4BPDE4DCYP2C19NPC1RAB9A
SCHEMBL9870667 0.78 PDE4B (0.45) PDE4BPDE4DCYP1A2NPC1RAB9A
SCHEMBL8576941 0.77 PDE4B (0.44) 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