SCHEMBL9872499

SCHEMBL9872499

Cc1nnc(NCC(C)N2CCN(c3ncccn3)CC2)c2cc3ccccn3c12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.53
PDE4D Q08499 9/20 0.53
OGA O60502 6/20 0.37
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
ACHE P22303 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9752627 0.88 PDE4B (0.69) PDE4BPDE4DOGA
SCHEMBL9870296 0.83 PDE4B (0.69) PDE4BPDE4DACHE
SCHEMBL9752596 0.78 PDE4B (0.39) PDE4BPDE4D
SCHEMBL9871514 0.76 PDE4B (0.41) PDE4BPDE4D
SCHEMBL9871078 0.75 PDE4B (0.44) PDE4BPDE4D
SCHEMBL9752615 0.73 PDE4B (0.47) PDE4BPDE4D
SCHEMBL9871483 0.72 PDE4B (0.46) PDE4BPDE4D
SCHEMBL9870727 0.71 LMNA (0.53) PDE4BPDE4DACHE
SCHEMBL9752708 0.71 PDE4B (0.44) PDE4BPDE4D
Hydrochloric Acid SCHEMBL9752508 0.70 PDE4B (0.43) 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
US-4985560-A Pyridazino(4,5-b)indolizines AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-15 US claimed
US-4985560-A Pyridazino(4,5-b)indolizines AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-15 US disclosed