SCHEMBL11366248

SCHEMBL11366248

CC(=O)CCn1cnc2c1c(=O)n(C(C)C)c(=O)n2C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.58
PDE4B Q07343 5/20 0.58
PDE4C Q08493 5/20 0.58
PDE4D Q08499 5/20 0.58
RXFP1 Q9HBX9 2/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 4/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 2/20 0.49
NFKB1 P19838 2/20 0.49
ACHE P22303 2/20 0.49
PMP22 Q01453 2/20 0.49
ESR1 P03372 1/20 0.49
BLM P54132 1/20 0.49
ADORA2B P29275 7/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ADORA2A P29274 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPA1 O75762 1/20 0.43

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
SCHEMBL11359942 0.91 RXFP1 (0.67) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL10872303 0.86 ADORA2B (0.55) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL10967382 0.79 MAPK1 (0.82) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL5237698 0.77 ADORA2B (0.72) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL11356563 0.76 TRPA1 (0.46) RXFP1MAPK1LMNAADORA2BSMN1; SMN2
SCHEMBL11357494 0.76 TRPA1 (0.44) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL5272670 0.75 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7612452 0.74 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL5275531 0.74 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL9842692 0.72 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DRXFP1

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-4291037-A PROMOTING THE FLOW OF BLOOD THROUGH SKELETAL MUSCLES VASODILATORS Wulfing, Johann A. (DE) 1981-09-22 US claimed