SCHEMBL4574549

SCHEMBL4574549

COCCOc1ccc(N2CCN(C(=O)O)C(C)C2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.40
KDM4E B2RXH2 3/20 0.40
FAAH O00519 4/20 0.40
CHRM4 P08173 3/20 0.40
CCR1 P32246 2/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CHRM2 P08172 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
SCHEMBL4573197 0.89 CTSB (0.46) SUV39H2KDM4EFAAHCHRM4CCR1
SCHEMBL8109925 0.87 SUV39H2 (0.48) SUV39H2FAAHCCR1
SCHEMBL4573063 0.87 SUV39H2 (0.48) SUV39H2FAAHCCR1
SCHEMBL23855515 0.83 ACACB (0.48) FAAHKMT2ANPC1RAB9ACHRM2
SCHEMBL23855514 0.83 ACACB (0.48) FAAHKMT2ANPC1RAB9ACHRM2
SCHEMBL23855529 0.83 ACACB (0.48) FAAHKMT2ANPC1RAB9ACHRM2
SCHEMBL4585200 0.79 CTSB (0.54) SUV39H2FAAHCHRM4CCR1CTSB
SCHEMBL4573735 0.78 FAAH (0.42) SUV39H2FAAHCHRM4CCR1KMT2A
SCHEMBL4573827 0.78 NPC1 (0.43) SUV39H2FAAHCHRM4CCR1NPC1
SCHEMBL4573668 0.76 SUV39H2 (0.50) SUV39H2FAAHCHRM4CCR1CTSB

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