SCHEMBL8578917

SCHEMBL8578917

c1ccc(COCc2nnc(NCCCCN3CCOCC3)c3cc4ccccn4c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.51
PDE4D Q08499 13/20 0.51
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ACP1 P24666 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
SCHEMBL9870196 0.83 PDE4B (0.56) PDE4BPDE4D
SCHEMBL8578894 0.82 ACHE (0.42) TP53ALOX15TSHRMAPK1SMN1; SMN2
SCHEMBL9872416 0.80 PDE4B (0.59) PDE4BPDE4DMAPK1
SCHEMBL9870727 0.76 LMNA (0.53) PDE4BPDE4D
SCHEMBL9871473 0.75 PDE4B (0.55) PDE4BPDE4D
SCHEMBL9871070 0.74 PDE4B (0.57) PDE4BPDE4D
SCHEMBL9752566 0.72 PDE4B (0.58) PDE4BPDE4DACP1
SCHEMBL9752995 0.71 PDE4B (0.60) PDE4BPDE4D
SCHEMBL9870693 0.71 PDE4B (0.58) PDE4BPDE4DACP1
SCHEMBL9752783 0.70 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756501-A USEFUL FOR TREATING ALZHIMER'S DISEASE, DOWN'S SYNDROM AND PARKINSON'S DISEASE INVOLVING HYPOFUNCTION OF ACETYLCHOLINE IN MAMMAL AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-26 US disclosed