SCHEMBL4572973

SCHEMBL4572973

CC(C)Oc1cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.49
NR1H3 Q13133 4/20 0.49
ACACB O00763 12/20 0.48
MAP4K4 O95819 1/20 0.48
SUV39H2 Q9H5I1 1/20 0.46
GPR119 Q8TDV5 2/20 0.46

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
SCHEMBL4572976 1.00 NR1H2 (0.49) NR1H2NR1H3ACACBMAP4K4SUV39H2
SCHEMBL8110534 0.88 CHRM4 (0.53) NR1H2NR1H3MAP4K4SUV39H2GPR119
SCHEMBL30045248 0.83 MAP4K4 (0.56) NR1H2NR1H3MAP4K4SUV39H2GPR119
SCHEMBL4573049 0.83 SUV39H2 (0.53) NR1H2NR1H3MAP4K4SUV39H2GPR119
SCHEMBL31046011 0.83 ROCK2 (0.53) NR1H2NR1H3MAP4K4SUV39H2GPR119
SCHEMBL4573047 0.83 SUV39H2 (0.53) NR1H2NR1H3MAP4K4SUV39H2GPR119
SCHEMBL29587327 0.83 ROCK2 (0.53) NR1H2NR1H3MAP4K4SUV39H2GPR119
SCHEMBL4573033 0.82 GPR119 (0.54) NR1H2NR1H3ACACBMAP4K4SUV39H2
SCHEMBL8113167 0.82 GPR119 (0.54) NR1H2NR1H3ACACBMAP4K4SUV39H2
SCHEMBL31587890 0.77 SUV39H2 (0.50) NR1H2NR1H3MAP4K4SUV39H2GPR119

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