SCHEMBL4573207

SCHEMBL4573207

COc1cc(N2CCN(C(=O)O)C(C)C2)ccc1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 3/20 0.45
FAAH O00519 6/20 0.44
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
CCR1 P32246 2/20 0.44
CHRM4 P08173 3/20 0.42
HIF1A Q16665 2/20 0.40
PTGDR Q13258 1/20 0.38
CPS1 P31327 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
SCHEMBL19096995 0.89 CTSB (0.46) SUV39H2FAAHCTSBCTSSCTSK
SCHEMBL19096985 0.89 CTSB (0.46) SUV39H2FAAHCTSBCTSSCTSK
SCHEMBL19096994 0.89 CTSB (0.46) SUV39H2FAAHCTSBCTSSCTSK
SCHEMBL4585200 0.88 CTSB (0.54) SUV39H2FAAHCTSBCTSSCTSK
SCHEMBL4573188 0.85 SUV39H2 (0.53) SUV39H2FAAHCTSBCTSSCTSK
SCHEMBL4573192 0.85 SUV39H2 (0.53) SUV39H2FAAHCTSBCTSSCTSK
SCHEMBL4573183 0.83 CCR1 (0.46) SUV39H2FAAHCTSBCTSSCTSK
SCHEMBL4572941 0.81 CCR1 (0.44) SUV39H2FAAHCTSBCTSSCTSK
SCHEMBL4573197 0.80 CTSB (0.46) SUV39H2FAAHCTSBCTSSCTSK
SCHEMBL4573031 0.79 FAAH (0.46) SUV39H2FAAHCTSBCTSSCTSK

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