SCHEMBL9871382

SCHEMBL9871382

Cc1nnc(NCCC2CCCN2C)c2cc3ccccn3c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.44
PDE4D Q08499 7/20 0.44
ACP1 P24666 2/20 0.43
RAD52 P43351 2/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
POLR1A O95602 1/20 0.41
CAMK2D Q13557 1/20 0.40
GFER P55789 1/20 0.39
MITF O75030 1/20 0.39

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 0.81 PDE4B (0.58) PDE4BPDE4DACP1HRH3
SCHEMBL9871656 0.80 ACHE (0.46) PDE4BPDE4DRAB9APOLR1A
SCHEMBL9870693 0.80 PDE4B (0.58) PDE4BPDE4DACP1HRH3
SCHEMBL9871473 0.80 PDE4B (0.55) PDE4BPDE4DHRH3
SCHEMBL9870667 0.80 PDE4B (0.45) PDE4BPDE4DNPC1RAB9A
SCHEMBL9870727 0.78 LMNA (0.53) PDE4BPDE4D
SCHEMBL9752708 0.78 PDE4B (0.44) PDE4BPDE4DNPC1RAB9A
SCHEMBL9752592 0.78 PDE4B (0.47) PDE4BPDE4D
SCHEMBL9752995 0.78 PDE4B (0.60) PDE4BPDE4D
Hydrochloric Acid SCHEMBL9752508 0.77 PDE4B (0.43) 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 1 patent. 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 disclosed