SCHEMBL4585200

SCHEMBL4585200

COc1ccc(N2CCN(C(=O)O)C(C)C2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.54
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
FAAH O00519 4/20 0.47
CHRM4 P08173 3/20 0.46
CCR1 P32246 2/20 0.46
SUV39H2 Q9H5I1 3/20 0.46
DPP4 P27487 3/20 0.44
HIF1A Q16665 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
SCHEMBL19096994 0.89 CTSB (0.46) CTSBCTSSCTSKFAAHCHRM4
SCHEMBL19096985 0.89 CTSB (0.46) CTSBCTSSCTSKFAAHCHRM4
SCHEMBL4573197 0.89 CTSB (0.46) CTSBCTSSCTSKFAAHCHRM4
SCHEMBL4573183 0.88 CCR1 (0.46) CTSBCTSSCTSKFAAHCHRM4
SCHEMBL4573207 0.88 SUV39H2 (0.45) CTSBCTSSCTSKFAAHCHRM4
SCHEMBL4573031 0.88 FAAH (0.46) CTSBCTSSCTSKFAAHCHRM4
SCHEMBL19096995 0.87 CTSB (0.46) CTSBCTSSCTSKFAAHCHRM4
SCHEMBL4572941 0.85 CCR1 (0.44) CTSBCTSSCTSKFAAHCHRM4
SCHEMBL4573145 0.84 SUV39H2 (0.56) CTSBCTSSCTSKFAAHCCR1
SCHEMBL4573153 0.84 SUV39H2 (0.56) CTSBCTSSCTSKFAAHCCR1

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