SCHEMBL4573338

SCHEMBL4573338

COc1ccc(N2CCN[C@H](C(C)C)C2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
DPP4 P27487 7/20 0.44
HIF1A Q16665 5/20 0.44
ZAP70 P43403 1/20 0.42
GHSR Q92847 2/20 0.38
HTR7 P34969 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL682890 0.89 PDE4B (0.46) TLR9TLR8TLR7
SCHEMBL2084595 0.89 PDE4B (0.46) TLR9TLR8TLR7
SCHEMBL10290765 0.85 ZAP70 (0.41) TLR9TLR8TLR7DPP4HIF1A
SCHEMBL310653 0.83 ALDH1A1 (0.59) ZAP70
SCHEMBL8270689 0.83 TLR9 (0.55) TLR9TLR8TLR7DPP4HIF1A
SCHEMBL2243476 0.83 TLR9 (0.55) TLR9TLR8TLR7DPP4HIF1A
Hydrochloric Acid SCHEMBL4572995 0.82 TLR9 (0.54) TLR9TLR8TLR7DPP4HIF1A
SCHEMBL13163389 0.79 CCR1 (0.44) TLR9TLR8TLR7HIF1A
SCHEMBL878044 0.78 PDE4A (0.48)
SCHEMBL683216 0.78 PDE4A (0.48)

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed