SCHEMBL4573168

SCHEMBL4573168

COc1ccc(N2CCN(C(=O)O)C(C)C2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.46
ROCK2 O75116 3/20 0.45
PRKG1 Q13976 3/20 0.45
CPS1 P31327 3/20 0.45
FAAH O00519 2/20 0.43
TACR3 P29371 2/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
LIMK2 P53671 1/20 0.42
MAPT P10636 1/20 0.42
ACACB O00763 1/20 0.41
TSHR P16473 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL4573259 0.85 SUV39H2 (0.48) SLC6A9ROCK2PRKG1CPS1FAAH
SCHEMBL8108230 0.85 SUV39H2 (0.48) SLC6A9ROCK2PRKG1CPS1FAAH
SCHEMBL4585200 0.77 CTSB (0.54) FAAH
SCHEMBL4573061 0.77 ROCK2 (0.48) ROCK2PRKG1CPS1FAAHCYP1A2
SCHEMBL22445489 0.75 NCF1 (0.55) ROCK2PRKG1KDM4EMAPTPDGFRB
SCHEMBL19049589 0.73 NOTUM (0.50) KDM4ECYP1A2MAPTTSHR
SCHEMBL4573183 0.73 CCR1 (0.46) FAAH
SCHEMBL4573207 0.73 SUV39H2 (0.45) CPS1FAAH
SCHEMBL19096995 0.72 CTSB (0.46) FAAHMAPT
SCHEMBL19096994 0.72 CTSB (0.46) FAAH

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